data_6rss_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 6rss _Structure_validation_residue.Date_analyzed 2019-10-04 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 ' 3' ' ' HIS . . . . . 0.448 ' HD2' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 110.382 -0.229 . . . . 3.19 110.382 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.405 ' HG3' ' CE2' ' A' ' 6' ' ' TYR . 20.3 ptp -119.33 140.58 50.08 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 110.098 -0.334 . . . . 2.57 110.098 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -76.61 144.01 39.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.089 0.471 . . . . 1.99 111.984 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' A' ' 4' ' ' MET . 38.0 m-85 -135.02 142.3 46.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.254 -0.885 . . . . 1.38 109.076 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -106.2 164.4 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.394 0.616 . . . . 3.1 111.465 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 25.3 tp -146.07 140.02 26.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.763 -1.108 . . . . 1.12 109.868 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.422 HG22 ' OD1' ' A' ' 11' ' ' ASN . 81.1 mt -127.61 120.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.465 -0.939 . . . . 1.31 108.465 176.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.447 HD21 ' HE2' ' A' ' 36' ' ' TYR . 1.1 mm? -95.92 94.73 7.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.518 -0.549 . . . . 1.03 109.518 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -87.25 87.8 7.53 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.509 -0.922 . . . . 1.96 108.509 178.638 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.85 -174.26 14.64 Favored Glycine 0 C--N 1.314 -0.645 0 C-N-CA 120.37 -0.919 . . . . 0.91 111.746 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -95.64 -55.9 2.87 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.795 -0.362 . . . . 3.78 111.768 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 t -99.36 6.92 45.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.369 -0.832 . . . . 2.46 110.009 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.55 101.66 4.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.169 -0.923 . . . . 2.37 109.078 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 22.8 mtmt -135.32 130.6 35.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.355 -0.384 . . . . 3.04 110.0 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.58 178.36 47.12 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.229 -0.748 . . . . 0.49 111.229 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -136.54 158.52 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.236 -0.653 . . . . 1.69 109.236 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 t -156.82 173.4 17.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.563 0.22 . . . . 1.15 110.477 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 p -141.41 148.01 38.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.338 -0.392 . . . . 1.09 110.62 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 t -141.82 157.93 44.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.979 -0.378 . . . . 1.07 109.979 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.61 130.24 56.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.992 -0.549 . . . . 2.26 110.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.26 166.97 31.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.973 -0.38 . . . . 1.13 109.973 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.448 HG12 ' HD2' ' A' ' 3' ' ' HIS . 17.6 m -103.61 -2.47 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.001 0.371 . . . . 1.73 112.001 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -132.13 156.46 46.34 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.49 -0.559 . . . . 2.13 109.49 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.6 23.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.838 -0.431 . . . . 1.32 109.838 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.34 90.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 1.21 110.991 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 m -67.78 -32.07 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 1.15 110.635 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.25 73.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.776 0.798 . . . . 1.09 109.148 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.26 -62.75 1.36 Allowed 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.386 -1.279 . . . . 1.29 109.439 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -50.59 -42.94 56.43 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.859 -1.064 . . . . 2.94 113.452 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.36 -44.49 90.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.035 0.445 . . . . 1.1 111.181 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.411 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.5 m-85 -73.18 -21.77 60.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.366 -0.379 . . . . 1.92 111.86 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -68.37 -40.99 81.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.266 -0.642 . . . . 1.69 109.266 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 2.5 109.167 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.447 ' HE2' HD21 ' A' ' 10' ' ' LEU . 48.7 t80 -69.32 -50.41 46.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.797 . . . . 2.13 110.197 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.21 75.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.737 -0.665 . . . . 1.06 110.33 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -52.09 -51.81 55.34 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.259 -0.882 . . . . 2.14 111.743 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.15 -5.05 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.136 -0.484 . . . . 1.78 111.876 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -108.73 3.3 22.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.102 0.477 . . . . 1.78 110.369 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.39 23.96 76.25 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.655 -0.702 . . . . 0.44 112.948 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.32 118.34 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-O 121.364 0.602 . . . . 1.12 111.701 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -147.49 142.4 26.9 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.294 -1.373 . . . . 1.86 107.294 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -172.03 -170.99 36.58 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.171 -1.014 . . . . 0.63 111.785 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.85 104.15 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.593 . . . . 2.79 109.4 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -75.49 100.66 4.59 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.805 -0.634 . . . . 0.41 111.262 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.411 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 8.6 p -100.04 155.66 17.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.316 -0.856 . . . . 1.25 110.437 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -149.31 144.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.827 -0.349 . . . . 1.95 110.918 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -123.88 131.24 53.55 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 107.984 -1.117 . . . . 2.07 107.984 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -81.25 -15.19 56.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 122.31 -0.244 . . . . 2.28 111.427 -173.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.22 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.839 -0.344 . . . . 1.42 111.906 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.1 p -115.1 -3.68 12.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.832 1.049 . . . . 1.95 113.832 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.54 37.8 19.34 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.489 0.661 . . . . 2.56 110.229 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.9 m -102.17 111.68 24.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.407 -0.815 . . . . 1.17 111.6 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 23.7 m-85 -85.21 125.04 32.54 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.311 -0.996 . . . . 1.98 108.311 174.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.411 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 26.5 m -117.45 119.54 35.39 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.874 0.369 . . . . 1.44 110.938 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -113.45 106.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.744 0.783 . . . . 1.15 109.252 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.417 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 1.2 m -99.55 125.74 45.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.428 -0.805 . . . . 1.14 110.345 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.944 -0.571 . . . . 2.56 109.971 -178.317 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.5 mm? . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.499 0.19 . . . . 23.39 110.843 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.783 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 37.6 Cg_endo -77.0 157.14 34.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.447 2.098 . . . . 23.54 111.258 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -45.97 130.93 13.56 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.03 2.487 . . . . 25.03 113.172 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.67 4.05 90.46 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 115.146 0.818 . . . . 26.59 115.146 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.783 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 59.5 m95 -107.3 142.72 36.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.78 1.29 . . . . 27.13 111.265 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.604 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 50.3 mt-10 -127.43 132.42 50.08 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.599 -0.519 . . . . 26.95 109.599 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 60.6 ttp -112.33 106.72 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.187 -1.042 . . . . 25.77 108.187 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -133.97 156.99 47.19 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.198 -0.667 . . . . 28.73 109.198 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -112.87 152.5 29.19 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.344 -0.243 . . . . 29.77 110.344 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -79.61 174.16 11.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.514 -0.921 . . . . 32.42 108.514 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 p -73.66 9.56 1.39 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.578 0.585 . . . . 34.47 112.578 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -120.81 0.8 10.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 35.43 109.714 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.84 12.81 60.1 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.599 -0.81 . . . . 31.32 113.438 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.5 t -81.69 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.621 -0.511 . . . . 32.2 109.621 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -91.01 123.63 34.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 28.83 111.535 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -135.58 155.61 50.19 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.885 -0.413 . . . . 30.27 109.885 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -116.27 157.64 24.62 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.949 0.404 . . . . 28.69 110.339 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 43.9 t -125.06 112.7 32.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.256 -0.429 . . . . 29.45 110.91 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.03 89.33 2.99 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.051 -1.092 . . . . 29.7 108.051 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.7 -11.47 60.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.026 0.441 . . . . 29.9 110.746 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -72.49 -37.28 68.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 31.42 110.286 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 p -112.57 -6.84 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.383 0.611 . . . . 33.14 110.536 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 60.4 73.46 0.48 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 114.817 -1.083 . . . . 35.9 111.139 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -155.54 165.83 35.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.82 -1.536 . . . . 32.79 109.264 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 p -103.51 142.47 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.949 -0.389 . . . . 32.98 109.949 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -146.85 139.74 25.22 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 110.175 -0.305 . . . . 31.05 110.175 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--N 1.321 -0.647 0 N-CA-C 109.983 -0.377 . . . . 32.23 109.983 178.147 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.801 -0.814 . . . . 3.19 108.801 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.644 ' HG3' ' HE2' ' A' ' 6' ' ' TYR . 18.0 ptp -120.75 132.1 54.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.682 -0.858 . . . . 2.57 108.682 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -92.69 132.85 36.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.169 0.509 . . . . 1.99 111.549 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.644 ' HE2' ' HG3' ' A' ' 4' ' ' MET . 70.6 m-85 -123.54 151.04 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 1.38 109.289 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HB3' HG22 ' A' ' 20' ' ' THR . 14.6 ptmt -123.29 148.49 45.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.128 0.489 . . . . 3.1 110.22 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.7 tp -130.18 131.64 45.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.233 -0.894 . . . . 1.12 110.051 -178.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.61 125.87 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.143 -0.688 . . . . 1.31 109.143 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -95.64 100.58 12.29 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 109.355 -0.609 . . . . 1.03 109.355 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -94.54 86.36 4.79 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.418 -0.956 . . . . 1.96 108.418 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.575 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.73 136.65 5.7 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.038 -0.825 . . . . 0.91 111.038 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -58.63 -19.67 41.03 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.247 0.462 . . . . 3.78 112.247 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -94.86 -15.26 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 2.46 111.573 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.24 101.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 2.37 110.297 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 16.2 mttm -113.83 118.04 33.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.175 -0.466 . . . . 3.04 110.469 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.76 -166.49 37.81 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.886 -0.885 . . . . 0.49 110.886 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -162.66 150.37 13.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.93 0.395 . . . . 1.69 110.285 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -147.93 178.45 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.755 -0.657 . . . . 1.15 110.62 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.524 HG22 ' HB3' ' A' ' 7' ' ' LYS . 40.0 p -133.49 156.62 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.585 -0.279 . . . . 1.09 111.539 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -149.8 156.28 41.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.028 -0.533 . . . . 1.07 109.581 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -103.11 135.86 43.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.337 -0.616 . . . . 2.26 109.337 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 4' ' ' MET . . . -146.34 162.57 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.323 -0.621 . . . . 1.13 109.323 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.64 8.44 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.106 -0.371 . . . . 1.73 111.033 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -152.96 159.62 42.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 2.13 110.237 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.03 -42.73 25.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.232 -0.44 . . . . 1.32 111.904 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.06 -32.74 63.43 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.613 0.721 . . . . 1.21 110.292 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 m -64.31 -27.13 68.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.985 -1.007 . . . . 1.15 110.513 177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.7 67.04 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.117 -0.698 . . . . 1.09 109.117 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 10.1 tt0 -62.41 -59.0 5.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.974 -1.012 . . . . 1.29 109.555 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -49.74 -42.8 47.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.862 -1.063 . . . . 2.94 113.231 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.37 -45.79 73.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.838 0.351 . . . . 1.1 111.184 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.432 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 2.4 m-85 -70.86 -21.34 62.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.741 0.275 . . . . 1.92 111.741 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.539 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 29.1 mtpt -69.76 -43.61 71.87 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.97 -0.381 . . . . 1.69 109.97 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -68.78 -27.51 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.862 -0.792 . . . . 2.5 108.862 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 35.2 t80 -69.85 -52.57 23.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.769 -1.105 . . . . 2.13 110.254 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.74 72.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 1.06 110.678 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -67.66 -26.89 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 2.14 109.681 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.88 -30.93 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.782 -0.645 . . . . 1.78 110.738 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -101.28 2.79 40.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.006 0.432 . . . . 1.78 110.433 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.43 60.63 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.44 114.495 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -102.5 112.4 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 117.852 0.826 . . . . 1.12 110.969 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -132.44 109.63 9.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.746 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.64 -168.62 16.27 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.122 -0.561 . . . . 0.63 111.923 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.54 139.68 37.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.303 -0.258 . . . . 2.79 110.303 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.539 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.3 m95 -113.72 99.14 7.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.41 110.771 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 p -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.68 -0.691 . . . . 1.25 109.873 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -153.7 151.24 29.42 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.757 -0.377 . . . . 1.95 111.524 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.99 132.98 38.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 107.677 -1.231 . . . . 2.07 107.677 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.95 -23.1 22.76 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.058 -0.657 . . . . 2.28 111.709 -170.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.81 -25.78 63.01 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.994 -0.282 . . . . 1.42 111.026 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.4 p -116.87 -0.04 12.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.825 0.676 . . . . 1.95 112.825 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 48.94 36.87 9.06 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.109 0.48 . . . . 2.56 111.692 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 m -104.4 115.98 31.32 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.378 0.51 . . . . 1.17 112.378 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 28.1 m-85 -84.92 133.82 34.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.742 -1.207 . . . . 1.98 107.742 171.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.26 118.48 29.66 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.62 -0.432 . . . . 1.44 111.369 -177.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.33 109.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.347 -0.982 . . . . 1.15 108.347 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 m -111.64 129.57 56.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.429 -0.805 . . . . 1.14 110.929 -175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.516 -0.766 . . . . 2.56 109.214 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.235 0.304 0 N-CA-C 109.716 -0.476 . . . . 23.39 109.716 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.565 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.9 Cg_exo -71.22 160.55 48.62 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 121.833 1.689 . . . . 23.54 110.431 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -60.8 129.69 30.08 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.85 1.7 . . . . 25.03 110.987 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.54 61.28 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 120.468 -0.872 . . . . 26.59 113.94 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.565 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.4 m95 -96.44 126.72 41.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 117.859 0.83 . . . . 27.13 111.306 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.606 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 39.8 mt-10 -111.59 149.75 31.03 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.495 -0.557 . . . . 26.95 109.495 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -126.27 117.71 23.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.316 -0.624 . . . . 25.77 109.316 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -143.38 157.49 44.42 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 110.067 -0.345 . . . . 28.73 110.067 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.53 159.69 17.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.872 0.367 . . . . 29.77 111.519 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.5 p -89.84 -168.38 2.12 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.775 -0.824 . . . . 32.42 108.775 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 p -90.46 10.87 23.52 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.878 -0.514 . . . . 34.47 112.056 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -120.23 0.43 10.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.474 0.654 . . . . 35.43 109.589 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.95 2.17 69.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.483 -0.865 . . . . 31.32 111.913 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.46 131.05 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 32.2 109.75 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -97.57 121.4 39.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.012 -0.54 . . . . 28.83 110.601 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.84 153.3 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.713 -0.847 . . . . 30.27 108.713 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -117.23 146.14 43.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.339 -0.544 . . . . 28.69 109.599 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.606 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.9 t -110.97 104.04 16.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.254 -0.43 . . . . 29.45 110.977 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.64 85.58 1.18 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.454 -1.313 . . . . 29.7 107.454 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -72.52 -2.58 20.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.853 0.359 . . . . 29.9 111.349 -174.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -75.01 -27.12 59.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.619 -0.512 . . . . 31.42 109.619 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 p -119.81 -6.64 10.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.102 0.477 . . . . 33.14 109.897 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 65.3 31.67 10.4 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.116 -0.947 . . . . 35.9 110.908 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -106.54 153.2 22.67 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.634 -1.166 . . . . 32.79 110.572 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.1 p -94.88 121.04 36.07 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.487 -0.931 . . . . 32.98 108.487 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 t -124.42 157.97 33.87 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.096 0.474 . . . . 31.05 110.796 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 108.968 -0.753 . . . . 32.23 108.968 176.446 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 m170 . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 119.816 -0.135 . . . . 3.19 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.1 ptm -103.63 136.58 43.08 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.084 -0.71 . . . . 2.57 109.084 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.32 140.01 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.014 0.435 . . . . 1.99 111.895 -176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -122.41 160.6 25.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.546 -0.752 . . . . 1.38 110.366 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.939 ' HD2' HG22 ' A' ' 54' ' ' THR . 5.4 tmtm? -123.56 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.66 -0.7 . . . . 3.1 110.424 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.61 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 17.2 tp -134.2 144.47 48.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.944 0.402 . . . . 1.12 111.352 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.633 HG12 ' HG2' ' A' ' 18' ' ' GLU . 88.6 mt -129.38 127.47 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.296 -0.866 . . . . 1.31 109.118 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.81 102.98 14.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.622 -0.511 . . . . 1.03 109.622 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.409 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 8.8 m120 -96.22 86.42 4.23 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.021 -0.733 . . . . 1.96 109.021 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.536 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -153.92 135.53 4.82 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.169 -0.772 . . . . 0.91 111.169 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -55.05 -21.44 12.41 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.393 0.516 . . . . 3.78 112.393 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 p -78.68 -52.75 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.77 0.319 . . . . 2.46 110.592 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 15' ' ' LEU . 1.6 mm? -134.48 104.65 6.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 2.37 111.269 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.9 OUTLIER -105.86 121.42 44.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.484 -0.561 . . . . 3.04 109.484 175.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.06 -173.94 46.05 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.336 -0.705 . . . . 0.49 111.336 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.633 ' HG2' HG12 ' A' ' 9' ' ' ILE . 36.1 mt-10 -139.02 164.89 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.827 0.346 . . . . 1.69 111.227 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -163.96 172.84 13.37 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.952 -0.567 . . . . 1.15 110.539 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p -140.71 155.57 46.43 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.667 0.387 . . . . 1.09 110.001 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -152.71 157.5 40.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.266 -0.272 . . . . 1.07 110.266 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.09 141.34 28.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 2.26 109.73 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.58 147.29 35.64 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.884 -0.326 . . . . 1.13 110.373 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -101.2 7.3 9.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.786 0.327 . . . . 1.73 110.944 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -164.25 159.12 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.449 -0.945 . . . . 2.13 108.449 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.9 67.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.652 0.263 . . . . 1.32 111.469 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.02 73.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 1.21 111.021 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.5 m -69.34 -29.26 67.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.67 . . . . 1.15 111.157 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.52 74.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.09 110.685 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.2 tt0 -65.93 -55.2 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.58 -0.736 . . . . 1.29 109.792 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -51.45 -43.16 61.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.042 0.756 . . . . 2.94 113.042 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 28' ' ' THR . 83.9 t -69.08 -51.55 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 1.1 111.254 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.529 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.4 m-30 -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.402 -0.363 . . . . 1.92 111.979 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.651 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 25.0 mtpp -72.61 -40.12 66.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.125 -0.324 . . . . 1.69 110.125 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -70.57 -32.03 69.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.861 -0.792 . . . . 2.5 108.861 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.529 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 24.2 t80 -65.98 -51.38 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.912 -1.04 . . . . 2.13 110.162 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 42' ' ' VAL . . . -67.27 -30.04 69.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.355 -0.839 . . . . 1.06 110.088 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.48 -39.25 92.84 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.467 -0.788 . . . . 2.14 110.685 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.88 -26.41 67.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.375 -0.375 . . . . 1.78 111.562 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -102.79 6.39 39.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.929 0.395 . . . . 1.78 110.328 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.24 20.34 67.2 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.614 -0.721 . . . . 0.44 113.065 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 91.4 t -102.64 105.86 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 121.425 0.631 . . . . 1.12 111.146 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -143.55 140.58 30.31 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.29 -1.004 . . . . 1.86 108.29 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -169.91 -169.58 33.29 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.898 -0.881 . . . . 0.63 110.898 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.74 111.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.043 0.449 . . . . 2.79 110.764 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.651 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.5 m95 -82.06 105.83 13.48 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.706 -0.679 . . . . 0.41 111.21 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.95 157.04 17.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 1.25 109.628 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 79.0 t80 -146.72 147.09 30.6 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.334 -0.229 . . . . 1.95 111.223 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.6 142.27 47.79 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.864 -0.791 . . . . 2.07 108.864 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.61 -36.47 44.14 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 111.67 0.248 . . . . 2.28 111.67 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -26.6 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.582 0.586 . . . . 1.42 112.582 -175.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -109.68 -15.48 14.14 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.865 1.061 . . . . 1.95 113.865 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.451 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 13.5 mptt 60.04 24.32 13.52 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-O 121.85 0.833 . . . . 2.56 109.816 -177.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.939 HG22 ' HD2' ' A' ' 7' ' ' LYS . 39.4 m -89.21 114.9 26.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.733 -1.121 . . . . 1.17 112.047 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.532 ' O ' HD13 ' A' ' 8' ' ' LEU . 84.7 m-85 -83.7 120.89 26.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.144 -1.058 . . . . 1.98 108.144 171.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 m -111.31 118.16 35.11 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.839 0.352 . . . . 1.44 110.206 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.7 p -110.13 113.05 43.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.773 -0.825 . . . . 1.15 108.773 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.487 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 5.7 m -110.04 131.14 55.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.442 -0.799 . . . . 1.14 111.398 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 109.524 -0.547 . . . . 2.56 109.524 177.239 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.231 0.11 0 N-CA-C 107.916 -1.142 . . . . 23.39 107.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.776 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 61.1 Cg_endo -74.51 143.97 31.55 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.289 1.326 . . . . 23.54 110.31 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -41.43 129.79 3.52 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 25.03 113.761 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.13 -15.97 59.8 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.647 -0.787 . . . . 26.59 114.504 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.776 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 72.9 m95 -94.04 147.27 23.29 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.084 0.942 . . . . 27.13 111.379 -177.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.616 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 15.5 tp10 -130.63 145.43 51.9 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.085 -0.709 . . . . 26.95 109.085 177.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -125.42 128.73 48.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.704 -0.225 . . . . 25.77 110.427 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -149.46 153.81 37.87 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.432 -0.581 . . . . 28.73 109.432 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.84 158.5 17.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.075 -0.342 . . . . 29.77 110.075 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.5 p -96.93 174.3 6.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.645 -0.872 . . . . 32.42 108.645 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 p -77.4 8.52 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.403 0.519 . . . . 34.47 112.403 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -119.43 5.27 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 35.43 110.579 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.48 83.3 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.659 -0.782 . . . . 31.32 112.262 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.45 146.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.691 -0.485 . . . . 32.2 109.691 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.39 128.18 55.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.47 -0.332 . . . . 28.83 110.642 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -127.76 155.94 43.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.457 -0.571 . . . . 30.27 109.457 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -117.6 153.61 32.96 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.065 0.459 . . . . 28.69 110.647 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.616 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 43.2 t -127.11 112.96 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 29.45 110.907 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.2 94.44 5.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 29.7 109.178 177.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -74.42 -4.54 37.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.216 0.462 . . . . 29.9 111.275 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.34 -30.77 54.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.076 -0.511 . . . . 31.42 109.867 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 p -115.4 -10.33 12.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.122 -0.49 . . . . 33.14 110.535 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 66.01 42.27 3.36 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.045 0.926 . . . . 35.9 110.006 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -122.23 168.54 11.89 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.272 -1.786 . . . . 32.79 109.984 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -113.56 138.01 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.642 . . . . 32.98 109.265 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 t -143.77 149.52 37.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.302 0.572 . . . . 31.05 111.272 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.763 -0.653 . . . . 32.23 109.435 176.764 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 109.943 -0.391 . . . . 3.19 109.943 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.417 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 25.1 mmt -122.33 135.47 54.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.274 -1.01 . . . . 2.57 108.274 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -85.22 99.19 10.94 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.648 -0.421 . . . . 1.99 110.288 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 4' ' ' MET . 96.1 m-85 -91.75 135.74 33.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.05 -0.722 . . . . 1.38 109.05 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HG3' ' HG1' ' A' ' 54' ' ' THR . 4.5 ptpp? -119.73 148.7 43.08 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.082 -0.508 . . . . 3.1 110.322 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.0 tp -128.19 140.63 51.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 1.12 110.055 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.498 HG12 ' HG2' ' A' ' 18' ' ' GLU . 89.4 mt -120.77 121.92 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 108.634 -0.876 . . . . 1.31 108.634 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -90.07 94.76 9.91 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.443 -0.577 . . . . 1.03 109.443 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.55 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -86.67 84.26 7.43 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.164 -1.05 . . . . 1.96 108.164 179.172 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -135.12 130.25 5.38 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.299 -0.953 . . . . 0.91 111.537 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -50.53 -30.92 14.16 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.655 0.782 . . . . 3.78 112.922 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -81.34 -41.64 21.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.716 -0.393 . . . . 2.46 111.181 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.739 HD12 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -145.1 126.1 14.53 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 121.244 0.545 . . . . 2.37 109.638 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -121.15 135.53 55.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.613 -0.721 . . . . 3.04 109.067 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.24 -171.25 43.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 0.49 112.372 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.498 ' HG2' HG12 ' A' ' 9' ' ' ILE . 22.8 mt-10 -130.12 171.33 12.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.69 111.272 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.519 HG21 ' CE1' ' A' ' 36' ' ' TYR . 15.0 t -168.28 155.29 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.052 -0.976 . . . . 1.15 108.813 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.1 p -132.8 159.23 40.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.891 0.377 . . . . 1.09 111.421 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -159.91 155.86 26.31 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.096 -0.705 . . . . 1.07 109.096 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.72 130.04 48.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.863 0.363 . . . . 2.26 110.224 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.94 157.26 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.83 -0.433 . . . . 1.13 109.83 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.7 m -94.68 -1.36 10.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 1.73 111.602 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -154.46 157.69 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.505 -0.316 . . . . 2.13 110.439 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -77.61 -42.82 33.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.828 -0.624 . . . . 1.32 111.466 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -67.68 -30.26 69.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.406 0.622 . . . . 1.21 110.117 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 m -73.08 -28.43 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.954 -1.021 . . . . 1.15 110.702 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.17 60.86 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.208 -0.664 . . . . 1.09 109.208 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 9.8 tt0 -50.87 -59.99 3.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.703 -1.135 . . . . 1.29 110.231 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 64.6 mmtt -49.74 -43.9 48.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.248 -0.887 . . . . 2.94 112.51 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.59 -46.62 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 1.1 111.125 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.432 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.6 m-85 -69.09 -20.17 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.844 0.313 . . . . 1.92 111.844 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.614 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 34.1 mtpt -72.67 -42.63 64.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.967 -0.382 . . . . 1.69 109.967 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -67.09 -30.27 70.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.761 -0.829 . . . . 2.5 108.761 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.519 ' CE1' HG21 ' A' ' 19' ' ' THR . 47.7 t80 -67.88 -52.52 35.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.455 -0.793 . . . . 2.13 110.358 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.41 84.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.066 0.46 . . . . 1.06 109.777 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.41 -45.2 80.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.122 -0.944 . . . . 2.14 110.67 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -73.73 -19.76 60.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.451 -0.795 . . . . 1.78 110.775 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.32 -11.89 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 1.78 110.918 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.97 60.55 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.825 -0.625 . . . . 0.44 112.955 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.51 129.44 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 120.936 0.398 . . . . 1.12 110.905 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -150.18 99.14 2.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.471 -0.786 . . . . 1.86 109.534 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.562 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -151.25 -168.4 15.78 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 121.317 -0.468 . . . . 0.63 112.064 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.9 mm-40 -54.32 150.6 8.47 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.858 0.387 . . . . 2.79 110.955 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.614 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 8.9 m95 -126.22 112.75 16.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.284 -0.416 . . . . 0.41 111.409 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.76 153.81 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.466 -0.334 . . . . 1.25 110.806 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.441 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 37.6 t80 -135.09 149.6 50.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.695 0.283 . . . . 1.95 111.344 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -129.66 131.43 46.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.782 -1.192 . . . . 2.07 107.782 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.71 -9.08 55.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.633 0.254 . . . . 2.28 111.638 -171.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.771 -0.372 . . . . 1.42 111.541 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.9 p -121.91 5.37 9.9 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.981 0.734 . . . . 1.95 112.981 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 53.74 49.6 18.87 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.087 0.47 . . . . 2.56 110.543 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.403 ' HG1' ' HG3' ' A' ' 7' ' ' LYS . 7.0 m -116.87 124.44 49.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.387 -0.37 . . . . 1.17 111.696 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.468 ' OH ' ' HB1' ' A' ' 26' ' ' ALA . 21.6 m-85 -98.23 136.71 38.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.799 -0.815 . . . . 1.98 108.799 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.39 127.12 53.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.612 -0.267 . . . . 1.44 111.286 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 14.6 p -121.17 103.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.662 -0.866 . . . . 1.15 108.662 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.562 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 25.3 m -103.34 129.29 50.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.108 -0.951 . . . . 1.14 111.411 -176.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 2.56 110.119 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.7 mm? . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 118.905 -0.569 . . . . 23.39 109.541 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.57 145.93 45.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 121.304 1.336 . . . . 23.54 111.799 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -45.56 125.95 8.18 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.783 2.989 . . . . 25.03 113.761 -177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.46 -10.69 54.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 115.664 -0.698 . . . . 26.59 114.556 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -95.62 134.92 37.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 118.257 1.029 . . . . 27.13 110.979 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.458 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 40.6 tt0 -116.53 153.13 32.73 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.511 -0.551 . . . . 26.95 109.511 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.43 ' HE2' ' HB3' ' A' ' 81' ' ' MET . 13.9 tmm? -135.54 135.18 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.77 109.35 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.887 ' HE2' HG23 ' A' ' 92' ' ' VAL . 18.3 pttt -161.73 158.76 26.32 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.906 -0.776 . . . . 28.73 108.906 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -103.13 157.1 17.23 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.868 0.366 . . . . 29.77 111.504 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.9 p -83.2 -172.65 4.26 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.297 -0.631 . . . . 32.42 109.297 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 p -83.98 12.1 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.915 0.388 . . . . 34.47 111.852 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -121.09 -1.45 9.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.425 -0.583 . . . . 35.43 109.425 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.91 6.46 69.63 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.733 -0.746 . . . . 31.32 112.295 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.36 138.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.757 0.313 . . . . 32.2 110.511 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -90.55 133.06 35.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 28.83 110.857 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -139.67 155.62 47.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.83 -0.433 . . . . 30.27 109.83 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -113.44 151.95 30.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.884 -0.413 . . . . 28.69 109.884 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.887 HG23 ' HE2' ' A' ' 82' ' ' LYS . 18.5 t -119.15 128.45 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 29.45 111.494 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.78 129.84 40.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.195 -1.039 . . . . 29.7 108.195 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -83.24 -22.91 32.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.415 0.524 . . . . 29.9 112.415 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.533 ' ND2' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER -82.14 -37.07 26.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.888 -0.325 . . . . 31.42 111.529 -174.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.533 HG21 ' ND2' ' A' ' 95' ' ' ASN . 17.0 p -97.86 -17.09 19.49 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.224 -0.297 . . . . 33.14 111.437 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 57.5 71.04 0.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.049 0.928 . . . . 35.9 109.939 -175.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 t -143.7 169.92 16.83 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.37 -1.286 . . . . 32.79 109.704 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 p -118.64 123.02 43.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.881 -0.414 . . . . 32.98 109.881 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -130.86 158.13 41.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.819 -0.551 . . . . 31.05 110.32 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.425 -0.352 . . . . 32.23 110.722 -179.284 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 109.734 -0.469 . . . . 3.19 109.734 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.8 mtp -114.0 137.13 52.12 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.379 -0.601 . . . . 2.57 109.379 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.03 117.94 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.143 0.497 . . . . 1.99 111.35 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.507 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 56.1 m-85 -113.73 136.51 52.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.364 -0.976 . . . . 1.38 108.364 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.467 ' HB3' HG22 ' A' ' 20' ' ' THR . 7.1 ptmm? -118.06 152.99 34.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.216 0.531 . . . . 3.1 111.874 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 55' ' ' TYR . 26.9 tp -126.96 146.33 50.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.083 -0.962 . . . . 1.12 110.306 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.835 HG12 ' HG2' ' A' ' 18' ' ' GLU . 91.0 mt -127.35 118.67 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.063 -0.717 . . . . 1.31 109.063 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -91.88 108.89 20.24 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.476 -0.565 . . . . 1.03 109.476 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -104.68 86.61 2.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.459 -0.571 . . . . 1.96 109.459 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.53 -158.55 9.91 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.91 111.215 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 34.0 mtpt -91.8 -59.3 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.414 0.524 . . . . 3.78 112.414 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -97.23 -12.52 22.89 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.645 -0.659 . . . . 2.46 111.533 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 40' ' ' ASN . 20.0 mt -115.7 98.03 6.46 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.255 0.55 . . . . 2.37 109.89 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -133.54 115.94 15.33 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.14 -0.936 . . . . 3.04 109.658 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.38 -172.1 44.5 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.483 -1.047 . . . . 0.49 110.483 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.835 ' HG2' HG12 ' A' ' 9' ' ' ILE . 3.3 mt-10 -135.69 170.09 16.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.154 0.502 . . . . 1.69 111.061 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -160.93 168.99 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 1.15 109.191 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 7' ' ' LYS . 9.2 p -142.14 153.66 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 1.09 112.092 -177.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -154.82 156.74 36.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.972 -0.751 . . . . 1.07 108.972 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -105.91 123.83 48.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.891 0.377 . . . . 2.26 110.458 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.57 157.96 44.93 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.808 -0.441 . . . . 1.13 109.808 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.2 m -98.23 7.28 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 1.73 111.387 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -155.11 157.85 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 2.13 111.253 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.94 23.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.804 -0.634 . . . . 1.32 111.354 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.65 76.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.647 0.737 . . . . 1.21 109.531 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -67.18 -30.12 69.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.953 -1.021 . . . . 1.15 110.876 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.82 -37.18 56.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.515 -0.55 . . . . 1.09 109.515 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.19 -62.14 2.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.077 -0.965 . . . . 1.29 110.142 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.11 -43.78 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.243 0.831 . . . . 2.94 113.243 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.79 -49.32 65.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.025 -0.27 . . . . 1.1 111.068 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.08 -21.32 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.522 -0.308 . . . . 1.92 111.422 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.12 -43.33 87.48 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.68 -0.489 . . . . 1.69 109.68 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -70.6 -30.99 67.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.351 -0.611 . . . . 2.5 109.351 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.88 -48.49 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.489 -0.778 . . . . 2.13 110.184 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.21 -38.89 68.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.961 -0.563 . . . . 1.06 110.526 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -58.21 -42.91 87.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.485 -0.779 . . . . 2.14 110.65 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -18.72 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 1.78 111.319 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.413 ' HB3' HD12 ' A' ' 15' ' ' LEU . 36.2 m-80 -99.37 -8.5 24.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.654 0.264 . . . . 1.78 110.808 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.28 27.17 28.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.686 -0.768 . . . . 0.44 112.975 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.28 119.43 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.171 0.51 . . . . 1.12 110.892 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -144.8 145.71 31.77 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.429 -0.952 . . . . 1.86 108.429 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 177.71 -169.53 41.57 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.754 -0.736 . . . . 0.63 111.469 -176.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.92 136.41 57.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.092 -0.336 . . . . 2.79 110.092 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.191 0.52 . . . . 0.41 110.893 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -112.94 146.87 38.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.604 -0.726 . . . . 1.25 109.889 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.75 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 24.8 t80 -130.4 130.11 43.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.698 0.285 . . . . 1.95 111.092 -176.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.68 103.93 12.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.477 -1.305 . . . . 2.07 107.477 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -68.12 -22.67 64.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.589 0.218 . . . . 2.28 111.589 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.3 -33.28 69.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.763 0.316 . . . . 1.42 111.082 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.8 p -106.9 -3.29 20.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.247 0.462 . . . . 1.95 112.247 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HD2' ' CE1' ' A' ' 6' ' ' TYR . 71.3 mmtt 52.48 49.87 19.5 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.759 0.79 . . . . 2.56 110.333 -177.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -125.04 130.6 52.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.902 -1.045 . . . . 1.17 111.471 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.75 ' CE2' ' HB2' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -100.94 131.21 46.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.348 -0.982 . . . . 1.98 108.348 172.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.3 m -116.35 120.99 40.62 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.861 -0.335 . . . . 1.44 111.062 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -106.12 110.74 32.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 108.562 -0.903 . . . . 1.15 108.562 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.445 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 13.6 m -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.595 -0.729 . . . . 1.14 111.029 -176.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 107.95 -1.13 . . . . 2.56 107.95 178.424 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.485 HD23 ' H ' ' A' ' 75' ' ' LEU . 2.9 mm? . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.336 -0.246 . . . . 23.39 110.336 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -65.28 153.6 77.47 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.164 1.91 . . . . 23.54 111.112 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -46.88 124.13 8.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.653 2.236 . . . . 25.03 111.783 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.6 27.74 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.311 -0.947 . . . . 26.59 113.475 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -93.36 131.7 38.27 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.694 0.747 . . . . 27.13 110.539 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.417 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 45.7 mt-10 -123.73 143.81 50.06 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.728 -0.471 . . . . 26.95 109.728 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -117.41 127.89 54.47 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.471 -0.566 . . . . 25.77 109.471 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -143.91 157.34 44.42 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.428 -0.582 . . . . 28.73 109.428 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -109.56 151.16 27.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.031 -0.359 . . . . 29.77 110.031 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -80.9 -170.01 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 32.42 109.476 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 p -85.19 8.18 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.216 0.531 . . . . 34.47 111.471 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -121.1 0.82 10.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.446 0.641 . . . . 35.43 109.569 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.31 10.34 74.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.585 -0.816 . . . . 31.32 112.256 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.3 t -80.87 140.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.794 -0.447 . . . . 32.2 109.794 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -93.49 130.47 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.907 -0.588 . . . . 28.83 111.46 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -141.74 158.43 43.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.415 -0.587 . . . . 30.27 109.415 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -114.5 155.35 26.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.257 0.551 . . . . 28.69 111.341 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 57.6 t -127.08 122.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 29.45 111.167 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 98.32 10.52 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.377 -0.971 . . . . 29.7 108.377 175.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -72.86 -16.17 61.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.909 0.385 . . . . 29.9 110.665 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -75.89 -39.36 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.513 . . . . 31.42 111.145 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.8 p -104.6 -10.57 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 33.14 111.029 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 62.97 56.7 1.77 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 122.024 0.916 . . . . 35.9 110.764 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.2 p -139.83 157.88 45.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.788 -1.551 . . . . 32.79 110.049 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 p -98.15 147.92 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.076 -0.342 . . . . 32.98 110.076 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 t -145.81 153.3 40.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.408 -0.59 . . . . 31.05 109.408 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.69 0 C-N-CA 120.593 -0.443 . . . . 32.23 110.271 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 109.127 -0.694 . . . . 3.19 109.127 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.1 mtp -112.15 138.54 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.041 -0.355 . . . . 2.57 110.041 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -80.3 126.21 30.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 1.99 110.836 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -119.93 146.49 45.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.306 -0.998 . . . . 1.38 108.306 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.68 151.58 44.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.837 0.351 . . . . 3.1 111.358 -176.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 19.1 tp -128.95 144.55 51.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 1.12 110.26 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.722 HG12 ' HG2' ' A' ' 18' ' ' GLU . 71.1 mt -126.89 117.55 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.862 -0.608 . . . . 1.31 109.438 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -90.67 110.5 21.67 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.1 -0.704 . . . . 1.03 109.1 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -107.92 87.37 2.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.737 -0.838 . . . . 1.96 108.737 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -158.82 8.95 Favored Glycine 0 CA--C 1.506 -0.494 0 CA-C-N 115.462 -0.79 . . . . 0.91 111.592 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -94.67 -59.83 1.84 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.511 0.56 . . . . 3.78 112.511 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.3 1.03 54.32 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.555 0.693 . . . . 2.46 110.1 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.72 98.98 4.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.411 -0.813 . . . . 2.37 109.251 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -132.09 116.37 16.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.235 -0.893 . . . . 3.04 108.962 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.82 -170.93 43.44 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.254 -0.974 . . . . 0.49 111.855 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.722 ' HG2' HG12 ' A' ' 9' ' ' ILE . 33.6 mt-10 -136.99 167.89 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.282 . . . . 1.69 110.465 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -167.0 158.54 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.359 -0.608 . . . . 1.15 109.359 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.6 p -131.88 158.39 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 1.09 111.701 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -160.2 157.22 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.88 -0.785 . . . . 1.07 108.88 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -97.57 145.55 26.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.748 0.308 . . . . 2.26 110.301 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.84 158.01 34.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.923 -0.769 . . . . 1.13 108.923 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 m -95.05 -11.03 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.399 -0.52 . . . . 1.73 112.27 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.7 156.54 45.04 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.109 -0.33 . . . . 2.13 110.109 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.871 0.367 . . . . 1.32 110.881 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.01 -28.71 68.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 1.21 111.168 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -75.64 -28.35 58.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 1.15 110.982 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.29 71.83 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.379 0.609 . . . . 1.09 109.471 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -56.67 -65.42 0.62 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.82 -1.082 . . . . 1.29 110.08 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -48.08 -41.4 26.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.639 -1.164 . . . . 2.94 113.212 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.03 -48.12 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.961 0.41 . . . . 1.1 110.777 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.63 -20.55 64.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.92 111.418 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -66.09 -39.9 90.37 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.086 0.47 . . . . 1.69 109.875 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -72.7 -32.6 65.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 2.5 108.754 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -65.45 -52.65 51.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 2.13 110.553 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.76 74.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 1.06 110.152 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -63.91 -39.3 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.89 -0.595 . . . . 2.14 110.397 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.3 -27.37 67.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.001 -0.545 . . . . 1.78 111.086 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -93.36 -5.63 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.185 0.517 . . . . 1.78 110.636 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 14.73 77.27 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.783 -0.644 . . . . 0.44 113.596 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.94 123.18 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 117.303 0.552 . . . . 1.12 111.023 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -141.63 137.24 31.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.634 -0.712 . . . . 1.86 109.7 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.81 -170.15 41.9 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.925 -0.87 . . . . 0.63 110.925 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.51 147.57 52.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.978 0.389 . . . . 2.79 110.481 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -112.41 116.28 30.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.71 -0.677 . . . . 0.41 110.918 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.467 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.5 p -107.27 157.49 17.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.049 -0.523 . . . . 1.25 110.335 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -146.78 142.25 27.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 1.95 110.58 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -122.2 138.98 54.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.822 -1.177 . . . . 2.07 107.822 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.48 -30.84 21.7 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.529 -0.468 . . . . 2.28 111.419 -173.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.68 68.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.506 -0.315 . . . . 1.42 111.346 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.495 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 19.5 p -110.92 -17.48 13.3 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.812 1.042 . . . . 1.95 113.812 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 65.96 13.87 9.29 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.099 0.476 . . . . 2.56 110.911 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.638 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 11.5 m -77.42 123.52 26.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 1.17 112.031 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 15.9 m-85 -96.61 135.64 38.23 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.158 -1.053 . . . . 1.98 108.158 172.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.467 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 85.0 m -129.37 129.77 45.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 1.44 111.581 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.43 113.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.688 -0.856 . . . . 1.15 108.688 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -102.22 125.21 48.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.735 -0.666 . . . . 1.14 111.091 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 CA-C-N 116.005 -0.543 . . . . 2.56 110.78 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 109.207 -0.664 . . . . 23.39 109.207 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -52.12 153.39 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.79 1.66 . . . . 23.54 111.88 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -62.36 131.01 32.19 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.064 1.843 . . . . 25.03 111.229 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.56 -22.64 32.09 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.537 -0.84 . . . . 26.59 112.808 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -93.38 141.07 28.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.072 0.436 . . . . 27.13 110.61 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.65 ' HG2' ' HE2' ' A' ' 82' ' ' LYS . 6.8 tp10 -134.07 149.27 51.13 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.531 -0.544 . . . . 26.95 109.531 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' A' ' 81' ' ' MET . 11.7 tmm? -129.26 123.53 32.17 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.543 -0.299 . . . . 25.77 110.355 -177.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HE2' ' HG2' ' A' ' 80' ' ' GLU . 63.2 mttm -146.11 157.34 43.84 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.003 -0.74 . . . . 28.73 109.003 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.68 150.92 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.23 -0.285 . . . . 29.77 110.23 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.1 p -78.58 -174.64 3.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.652 -0.499 . . . . 32.42 109.652 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.29 87.67 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.958 0.355 . . . . 34.47 111.958 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.72 7.27 24.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.828 0.347 . . . . 35.43 110.951 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.57 25.92 57.75 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.506 -0.854 . . . . 31.32 113.412 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.41 138.4 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.131 -0.692 . . . . 32.2 109.131 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -84.66 122.22 28.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.197 -0.456 . . . . 28.83 112.151 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -133.48 156.27 48.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.837 -0.801 . . . . 30.27 108.837 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -116.59 149.94 38.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 28.69 110.789 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.625 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 56.2 t -113.98 107.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 29.45 110.983 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.24 96.3 5.2 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.091 -0.707 . . . . 29.7 109.091 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -73.64 -14.72 61.22 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.319 -0.552 . . . . 29.9 110.961 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -75.07 -35.73 61.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 31.42 111.467 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 p -113.69 -1.97 13.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.072 0.463 . . . . 33.14 110.878 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 59.15 74.27 0.45 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.058 -0.974 . . . . 35.9 111.268 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 t -160.94 177.84 9.98 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.476 -1.238 . . . . 32.79 110.605 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.6 p -123.65 145.23 49.1 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.104 -0.702 . . . . 32.98 109.104 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 t -150.57 158.43 44.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.918 -0.489 . . . . 31.05 111.325 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 115.681 -0.69 . . . . 32.23 110.668 179.504 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.152 -0.314 . . . . 3.19 110.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 ptp -129.84 134.52 47.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.141 -1.059 . . . . 2.57 108.141 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -70.39 133.7 47.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 1.99 112.225 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -130.27 143.44 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.694 -0.854 . . . . 1.38 108.694 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.677 ' HB3' HG21 ' A' ' 20' ' ' THR . 5.2 ptpp? -133.01 156.64 46.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.017 0.437 . . . . 3.1 111.649 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 9.6 tp -132.73 137.1 46.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.155 -0.93 . . . . 1.12 109.449 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -116.25 121.59 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 1.31 108.865 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -89.49 108.84 19.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.411 -0.588 . . . . 1.03 109.411 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.573 ' CB ' HG21 ' A' ' 58' ' ' THR . 7.9 m120 -102.15 86.84 2.93 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.298 -0.865 . . . . 1.96 108.879 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.599 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -154.72 142.11 8.74 Favored Glycine 0 N--CA 1.438 -1.198 0 C-N-CA 119.91 -1.138 . . . . 0.91 111.928 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 mtpp -52.72 -27.88 19.54 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 123.947 0.899 . . . . 3.78 112.524 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.5 m -91.0 -26.48 19.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.742 0.306 . . . . 2.46 111.335 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -147.57 102.56 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 2.37 111.226 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 2.6 mptt -114.13 119.8 38.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.905 -0.776 . . . . 3.04 108.905 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.97 -167.35 38.61 Favored Glycine 0 CA--C 1.499 -0.945 0 N-CA-C 111.365 -0.694 . . . . 0.49 111.365 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -164.02 156.33 17.17 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.711 0.291 . . . . 1.69 110.362 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.1 t -152.1 172.24 16.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 1.15 109.63 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.677 HG21 ' HB3' ' A' ' 7' ' ' LYS . 20.1 p -132.5 157.81 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 1.09 111.951 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -150.92 148.4 28.37 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.777 -0.647 . . . . 1.07 109.409 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -96.5 104.02 15.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.832 -0.433 . . . . 2.26 109.832 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.14 158.38 17.47 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.571 -0.451 . . . . 1.13 110.446 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.02 7.15 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.538 0.209 . . . . 1.73 111.388 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -159.72 166.96 29.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.985 -0.746 . . . . 2.13 108.985 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.92 -57.85 3.54 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.951 0.352 . . . . 1.32 111.951 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -24.6 64.64 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.838 0.31 . . . . 1.21 111.838 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -67.21 -28.43 68.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 1.15 110.909 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -35.84 63.76 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.99 0.424 . . . . 1.09 110.148 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 7.1 tt0 -62.58 -60.26 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.408 -0.815 . . . . 1.29 109.965 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.61 -41.4 30.8 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.242 -0.89 . . . . 2.94 113.117 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.79 -50.44 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 122.265 -0.272 . . . . 1.1 111.36 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -64.06 -22.0 66.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.577 0.214 . . . . 1.92 111.577 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.2 mtpt -70.51 -41.18 72.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.989 0.423 . . . . 1.69 109.908 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -65.61 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.882 -0.785 . . . . 2.5 108.882 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -65.13 -53.09 50.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.92 -1.037 . . . . 2.13 110.787 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.5 -30.06 70.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.16 0.505 . . . . 1.06 110.729 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -65.31 -25.29 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 2.14 110.853 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.19 -31.28 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.305 0.483 . . . . 1.78 112.305 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -92.75 -6.15 49.68 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.216 -0.594 . . . . 1.78 110.883 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.86 32.9 48.05 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.773 -0.648 . . . . 0.44 113.586 176.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.65 120.85 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.091 0.472 . . . . 1.12 110.319 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.06 138.54 46.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.81 -0.632 . . . . 1.86 109.763 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.26 -170.43 42.04 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.035 -0.826 . . . . 0.63 111.035 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.65 143.17 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.563 0.22 . . . . 2.79 110.434 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.5 m95 -110.55 101.32 10.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.382 0.611 . . . . 0.41 110.463 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.463 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 12.1 p -103.89 160.16 15.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 1.25 110.787 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -147.94 142.85 26.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.693 0.282 . . . . 1.95 110.841 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.75 144.54 50.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.449 -0.945 . . . . 2.07 108.449 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -90.16 -20.79 22.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.625 -0.43 . . . . 2.28 111.303 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.96 73.61 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.062 -0.255 . . . . 1.42 111.655 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.6 p -118.44 4.3 11.79 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.758 0.651 . . . . 1.95 112.758 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.93 47.34 23.35 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.533 0.682 . . . . 2.56 110.063 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -112.02 121.89 46.25 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.549 -0.751 . . . . 1.17 112.218 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 48.9 m-85 -87.94 130.54 34.9 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.763 -1.569 . . . . 1.98 106.763 171.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.463 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 30.6 m -125.38 126.02 44.34 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.851 -0.531 . . . . 1.44 111.605 -177.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.66 114.64 47.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.432 -0.951 . . . . 1.15 108.432 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.573 HG21 ' CB ' ' A' ' 11' ' ' ASN . 1.2 m -118.75 128.5 54.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 1.14 111.773 -174.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.7 . . . . 2.56 109.485 177.677 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 79' ' ' TRP . 4.4 mm? . . . . . 0 C--O 1.235 0.308 0 CA-C-O 119.833 -0.127 . . . . 23.39 110.831 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -65.5 159.55 47.28 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.33 2.02 . . . . 23.54 110.429 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.79 128.78 26.71 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.819 1.679 . . . . 25.03 111.09 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.93 -29.34 12.71 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.631 -0.795 . . . . 26.59 112.622 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.465 ' HB3' HD12 ' A' ' 75' ' ' LEU . 77.6 m95 -88.13 122.1 31.3 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.319 0.56 . . . . 27.13 109.954 177.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.576 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 23.7 mt-10 -110.56 149.5 30.3 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.482 -0.487 . . . . 26.95 110.977 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.483 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . 7.8 ttt -121.1 126.39 49.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 25.77 110.318 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.455 ' NZ ' HG21 ' A' ' 92' ' ' VAL . 45.4 mttp -143.18 158.08 43.94 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.307 -0.627 . . . . 28.73 109.307 -176.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -110.58 162.06 15.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.069 0.461 . . . . 29.77 111.979 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 p -103.28 176.05 5.27 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.632 -1.248 . . . . 32.42 107.632 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 p -80.85 8.06 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.889 -0.507 . . . . 34.47 112.332 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -109.75 -0.3 18.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.332 -0.618 . . . . 35.43 109.332 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.82 7.35 68.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.685 -0.688 . . . . 31.32 112.093 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.3 t -81.93 140.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.046 0.45 . . . . 32.2 110.925 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 28.83 110.763 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -122.45 156.07 34.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.308 -0.627 . . . . 30.27 109.308 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 81' ' ' MET . 86.1 m-85 -120.86 153.54 37.01 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.459 0.647 . . . . 28.69 111.396 -176.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.576 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 48.5 t -117.96 103.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.785 -1.098 . . . . 29.45 110.167 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.61 124.64 28.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.395 -1.335 . . . . 29.7 107.395 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -87.97 -12.38 44.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.41 0.893 . . . . 29.9 113.41 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -89.14 -36.7 15.56 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.618 -0.833 . . . . 31.42 111.332 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.5 p -90.07 -19.0 24.87 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.065 -0.397 . . . . 33.14 110.083 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 60.4 43.54 13.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.465 1.126 . . . . 35.9 109.445 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 m -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 113.077 -1.874 . . . . 32.79 108.995 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -88.21 143.14 27.22 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.128 0.422 . . . . 32.98 110.574 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.0 t -151.09 155.08 38.21 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.804 0.335 . . . . 31.05 110.691 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 C--N 1.326 -0.419 0 N-CA-C 109.366 -0.605 . . . . 32.23 109.366 177.671 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 109.765 -0.457 . . . . 3.19 109.765 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.7 mtp -102.23 138.76 38.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.861 -0.335 . . . . 2.57 110.208 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.81 118.32 23.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.279 -0.419 . . . . 1.99 110.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.93 152.57 20.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 1.38 109.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -117.12 136.29 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.01 -0.541 . . . . 3.1 110.292 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -118.98 141.8 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.575 -0.45 . . . . 1.12 110.35 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -123.86 113.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.943 -0.762 . . . . 1.31 108.943 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.2 mm? -87.32 109.52 19.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.563 -0.903 . . . . 1.03 108.563 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -103.74 87.75 2.89 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.962 -0.755 . . . . 1.96 108.962 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.17 -173.26 13.82 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.005 -1.093 . . . . 0.91 113.432 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.492 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 8.2 pttp -80.42 -60.37 2.35 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.326 -0.437 . . . . 3.78 112.103 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -94.05 -25.83 17.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.815 0.341 . . . . 2.46 110.632 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -120.49 106.25 11.63 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.395 -0.366 . . . . 2.37 111.875 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.85 137.96 45.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.438 -0.949 . . . . 3.04 108.438 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.43 -162.25 30.11 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.79 -0.719 . . . . 0.49 111.659 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.32 164.36 28.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 1.69 110.502 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.417 HG22 ' CE2' ' A' ' 36' ' ' TYR . 8.9 t -161.75 168.37 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.93 -0.767 . . . . 1.15 108.93 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.6 p -137.62 152.8 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.53 0.205 . . . . 1.09 111.287 -176.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 t -154.58 156.21 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.395 -0.595 . . . . 1.07 109.395 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.6 139.76 34.79 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.833 -0.432 . . . . 2.26 109.833 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.46 151.64 29.19 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.16 -0.311 . . . . 1.13 110.16 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -97.02 -8.55 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.662 0.268 . . . . 1.73 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -137.47 158.78 43.67 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.453 -0.573 . . . . 2.13 109.453 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.79 -44.13 51.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.582 -0.525 . . . . 1.32 109.582 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -58.87 -40.86 85.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.5 -0.773 . . . . 1.21 111.008 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -67.9 -28.16 67.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 1.15 111.597 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.63 -38.17 67.82 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.294 0.569 . . . . 1.09 109.537 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.606 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 26.6 tt0 -60.02 -55.75 30.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.781 -1.1 . . . . 1.29 109.722 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.5 mmtp -50.11 -44.87 52.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.349 -0.841 . . . . 2.94 112.622 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -71.38 -48.15 55.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.078 0.466 . . . . 1.1 111.137 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.71 -22.38 65.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.789 -0.641 . . . . 1.92 111.77 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.628 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.7 mtpp -71.1 -41.48 70.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.916 -0.401 . . . . 1.69 109.916 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.41 -33.87 76.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.291 -0.633 . . . . 2.5 109.291 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.417 ' CE2' HG22 ' A' ' 19' ' ' THR . 47.6 t80 -64.43 -50.25 68.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.631 -0.713 . . . . 2.13 110.554 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 1.06 109.949 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.17 -45.74 90.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 2.14 110.758 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.28 -23.94 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.78 111.261 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -88.94 -18.41 27.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 1.78 110.851 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.44 16.21 55.67 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.857 -0.687 . . . . 0.44 112.714 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.43 122.28 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 120.976 0.417 . . . . 1.12 110.42 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -144.66 139.46 28.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 1.86 109.705 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.62 -170.82 42.94 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.72 -0.952 . . . . 0.63 110.72 -176.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.46 150.15 32.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.891 0.345 . . . . 2.79 110.343 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.628 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.1 m95 -114.12 107.71 16.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 0.41 111.482 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 p -100.9 154.92 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 1.25 110.176 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -156.19 154.47 30.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.95 110.692 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -134.2 138.68 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.003 -0.74 . . . . 2.07 109.003 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.585 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 36.7 t70 -90.39 5.0 49.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 2.28 111.341 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.47 -40.15 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.843 -0.536 . . . . 1.42 111.709 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -113.46 -3.35 13.72 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.296 0.85 . . . . 1.95 113.296 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HE3' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER 61.28 29.17 18.52 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.035 0.445 . . . . 2.56 110.407 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -97.32 123.9 41.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.445 -0.343 . . . . 1.17 111.284 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.96 149.48 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.269 -0.641 . . . . 1.98 109.269 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.5 m -142.07 126.59 17.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.045 0.45 . . . . 1.44 111.309 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -106.12 112.9 41.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.155 -1.054 . . . . 1.15 108.155 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -104.31 126.36 51.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.601 -0.727 . . . . 1.14 112.004 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.315 -0.994 . . . . 2.56 108.315 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 110.057 -0.349 . . . . 23.39 110.057 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 16.5 Cg_exo -71.19 154.37 61.93 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.15 1.9 . . . . 23.54 111.146 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -49.88 124.37 12.4 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.915 2.41 . . . . 25.03 112.564 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.43 -25.46 24.41 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.663 -0.78 . . . . 26.59 113.974 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.484 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 77.8 m95 -87.17 137.88 31.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.795 0.797 . . . . 27.13 110.025 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.573 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 95.8 mt-10 -132.01 129.89 40.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.842 0.353 . . . . 26.95 110.521 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.402 ' C ' ' HG2' ' A' ' 82' ' ' LYS . 16.9 ttt -94.86 129.54 41.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.093 -0.706 . . . . 25.77 109.093 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HZ2' HG21 ' A' ' 92' ' ' VAL . 12.1 mmtp -143.77 157.36 44.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.683 -0.488 . . . . 28.73 109.683 -174.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -116.09 146.4 42.25 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 110.218 -0.29 . . . . 29.77 110.218 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.665 ' HG1' ' HB ' ' A' ' 88' ' ' VAL . 58.4 p -82.9 -175.0 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.442 -0.577 . . . . 32.42 109.442 174.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -57.79 -48.19 80.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.306 0.484 . . . . 34.47 112.306 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.35 9.85 12.11 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.885 0.328 . . . . 35.43 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.07 24.5 48.18 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.653 -0.784 . . . . 31.32 113.983 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.665 ' HB ' ' HG1' ' A' ' 84' ' ' THR . 92.4 t -80.48 124.5 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.417 0.609 . . . . 32.2 109.487 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.1 117.84 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.721 -0.672 . . . . 28.83 111.424 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -131.14 154.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.19 -0.67 . . . . 30.27 109.19 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -112.32 145.82 39.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.296 0.57 . . . . 28.69 111.022 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.573 HG21 ' HZ2' ' A' ' 82' ' ' LYS . 65.5 t -114.92 112.42 39.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.286 -0.87 . . . . 29.45 111.365 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.581 ' HB2' ' HG1' ' A' ' 98' ' ' THR . 1.9 m-20 -80.72 92.29 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.985 -1.117 . . . . 29.7 107.985 174.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 6.57 6.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.123 0.487 . . . . 29.9 110.452 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.27 -50.81 5.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.074 -0.512 . . . . 31.42 110.807 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 p -105.89 4.51 29.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.933 0.345 . . . . 33.14 111.933 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 60.51 76.98 0.34 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.859 0.838 . . . . 35.9 110.901 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.581 ' HG1' ' HB2' ' A' ' 93' ' ' ASP . 0.8 OUTLIER -154.92 157.99 38.6 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.394 -1.275 . . . . 32.79 110.045 -176.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 p -123.27 132.7 54.11 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.808 -0.442 . . . . 32.98 109.808 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.0 t -139.56 158.52 43.98 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.327 0.584 . . . . 31.05 111.54 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 32.23 110.122 178.864 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 62.9 m170 . . . . . 0 N--CA 1.457 -0.088 0 N-CA-C 110.067 -0.346 . . . . 3.19 110.067 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mtp -136.24 134.7 38.37 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.431 -0.951 . . . . 2.57 108.431 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.537 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 6.6 tp-100 -79.6 135.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 1.99 111.317 -176.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -127.14 152.6 47.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.407 -0.815 . . . . 1.38 109.257 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 54' ' ' THR . 28.5 ttmt -132.89 133.31 43.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.461 -0.2 . . . . 3.1 110.461 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.8 tp -116.33 141.84 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.861 -0.422 . . . . 1.12 109.861 175.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.837 HG12 ' HG2' ' A' ' 18' ' ' GLU . 77.6 mt -118.15 123.28 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.97 -0.752 . . . . 1.31 108.97 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.501 HD23 ' HH ' ' A' ' 36' ' ' TYR . 1.4 mm? -92.61 106.0 18.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.575 -0.45 . . . . 1.03 110.088 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -96.68 87.46 4.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.697 -0.853 . . . . 1.96 108.697 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.36 -166.82 11.78 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.168 -0.924 . . . . 0.91 111.854 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -90.24 -57.13 2.95 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 111.809 0.3 . . . . 3.78 111.809 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -101.51 5.55 41.9 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.172 0.51 . . . . 2.46 110.729 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.48 98.77 4.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.641 -0.709 . . . . 2.37 109.533 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 18.7 mtpp -133.42 110.56 10.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.499 -0.773 . . . . 3.04 109.244 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.07 -165.72 35.37 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.912 -0.661 . . . . 0.49 111.81 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.837 ' HG2' HG12 ' A' ' 9' ' ' ILE . 26.4 mt-10 -138.34 168.29 20.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.761 0.28 . . . . 1.69 110.894 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.422 HG21 ' CZ ' ' A' ' 36' ' ' TYR . 9.3 t -163.92 149.86 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 1.15 109.543 175.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.537 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 38.8 p -116.84 163.46 16.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.595 -0.275 . . . . 1.09 110.951 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -158.35 153.23 25.06 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.638 -0.505 . . . . 1.07 109.638 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 30.9 mt-10 -98.23 105.66 17.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.573 -0.285 . . . . 2.26 110.265 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.83 152.34 47.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.856 -0.424 . . . . 1.13 109.856 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 24' ' ' VAL . 7.1 p -101.92 0.93 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-O 121.429 0.633 . . . . 1.73 110.896 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -146.39 157.06 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 2.13 111.145 -176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.07 46.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 1.32 111.443 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.6 70.74 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.613 -0.514 . . . . 1.21 109.613 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -64.61 -29.5 70.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.714 . . . . 1.15 110.249 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.33 -38.17 63.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.131 0.491 . . . . 1.09 109.687 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 16.8 tt0 -61.02 -53.75 53.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.409 -0.814 . . . . 1.29 109.488 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -54.7 -44.85 73.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.035 0.754 . . . . 2.94 113.035 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.54 -48.33 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.846 0.355 . . . . 1.1 111.215 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.438 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 3.1 m-85 -70.55 -21.86 62.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.58 0.585 . . . . 1.92 112.58 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 45.7 mtpt -77.16 -39.22 49.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.551 -0.537 . . . . 1.69 109.551 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.04 93.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.496 -1.298 . . . . 2.5 107.496 174.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.501 ' HH ' HD23 ' A' ' 10' ' ' LEU . 34.3 t80 -60.84 -55.26 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.132 -1.395 . . . . 2.13 110.725 175.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.0 67.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.363 0.601 . . . . 1.06 110.789 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.63 -26.81 65.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 2.14 110.408 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -75.07 -30.6 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 1.78 111.021 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -100.17 2.73 43.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.9 0.381 . . . . 1.78 110.857 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.56 36.47 93.19 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 115.541 -0.754 . . . . 0.44 113.858 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.69 109.23 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.212 0.53 . . . . 1.12 110.517 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -129.68 137.93 50.89 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.565 -0.743 . . . . 1.86 109.229 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.05 -171.53 43.58 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.654 -0.979 . . . . 0.63 110.654 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 143.64 52.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 2.79 110.731 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.538 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.6 m95 -113.12 141.36 47.0 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.41 111.204 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -135.91 159.1 42.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 1.25 109.826 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -143.9 131.12 20.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.798 0.332 . . . . 1.95 111.839 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -108.47 131.8 54.44 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.128 -1.434 . . . . 2.07 107.128 174.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -85.37 -24.76 27.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.226 -0.59 . . . . 2.28 111.724 -172.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.25 -30.29 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.869 0.366 . . . . 1.42 111.038 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 p -111.0 -6.9 14.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.085 0.772 . . . . 1.95 113.085 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 56.35 32.82 21.21 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.78 0.8 . . . . 2.56 110.001 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.513 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 78.5 m -102.19 114.46 28.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.766 -1.106 . . . . 1.17 112.486 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 54.5 m-85 -85.48 139.61 31.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.433 -0.951 . . . . 1.98 108.433 171.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 m -127.16 131.48 50.72 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.611 -0.435 . . . . 1.44 110.957 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -113.63 116.25 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.971 -0.751 . . . . 1.15 108.971 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m -102.13 119.6 39.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.691 -0.686 . . . . 1.14 111.159 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.738 -0.664 . . . . 2.56 109.346 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.79 -0.448 . . . . 23.39 109.79 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.86 147.36 94.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.008 1.805 . . . . 23.54 111.294 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -45.07 127.27 8.52 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.013 2.475 . . . . 25.03 112.491 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.16 -26.33 24.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.024 -1.084 . . . . 26.59 113.437 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -90.53 140.93 29.27 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.488 0.644 . . . . 27.13 111.2 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -125.15 150.86 46.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.761 -0.459 . . . . 26.95 109.761 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -128.78 132.37 47.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.363 -0.606 . . . . 25.77 109.363 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -146.42 157.06 43.72 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 110.094 -0.335 . . . . 28.73 110.094 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.82 153.92 23.72 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.849 0.357 . . . . 29.77 111.241 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.862 ' HG1' ' HB ' ' A' ' 88' ' ' VAL . 82.3 p -91.65 -169.35 2.27 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.146 -0.479 . . . . 32.42 110.096 175.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -62.03 -49.04 77.61 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.296 0.48 . . . . 34.47 112.296 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -83.65 9.12 12.35 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.35 -0.386 . . . . 35.43 111.656 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.66 58.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.483 -0.865 . . . . 31.32 113.22 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.862 ' HB ' ' HG1' ' A' ' 84' ' ' THR . 95.3 t -80.95 123.41 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.6 -0.518 . . . . 32.2 109.6 178.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -84.69 130.81 34.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 28.83 111.551 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -135.6 160.78 37.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.926 -0.768 . . . . 30.27 108.926 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.66 151.62 31.54 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.036 0.446 . . . . 28.69 111.483 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.62 130.89 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 29.45 111.128 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.6 118.83 30.35 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.567 -0.901 . . . . 29.7 108.567 175.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -76.81 -20.57 56.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 118.215 0.461 . . . . 29.9 111.382 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -78.22 -47.07 18.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.347 -0.388 . . . . 31.42 111.199 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.2 p -92.32 -11.97 33.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.296 -0.261 . . . . 33.14 110.296 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 62.93 36.17 12.87 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.588 0.709 . . . . 35.9 109.601 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -110.64 161.85 15.32 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.602 -1.181 . . . . 32.79 110.749 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.9 p -110.05 143.25 40.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.182 -1.044 . . . . 32.98 108.182 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -141.43 134.1 28.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 31.05 110.342 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 32.23 110.42 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.332 -0.618 . . . . 3.19 109.332 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 ttm -131.01 162.57 29.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.804 -1.184 . . . . 2.57 107.804 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -95.41 108.49 20.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.721 0.296 . . . . 1.99 111.179 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -101.82 131.78 47.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.554 -0.906 . . . . 1.38 108.554 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.584 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 7.8 ptpp? -109.5 149.47 29.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 3.1 111.136 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.2 tp -125.93 136.71 53.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.343 -0.844 . . . . 1.12 110.183 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.8 mt -121.69 115.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.104 -0.702 . . . . 1.31 109.104 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.561 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -90.93 117.36 29.46 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.907 -0.775 . . . . 1.03 108.907 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -118.35 84.54 2.2 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.623 0.725 . . . . 1.96 109.332 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.703 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -140.37 153.8 23.71 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.514 -1.221 . . . . 0.91 110.544 175.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' H ' ' HG3' ' A' ' 13' ' ' LYS . 15.2 mttp -49.69 -40.17 39.28 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 123.831 0.852 . . . . 3.78 111.86 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -99.94 2.42 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 2.46 111.611 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.18 99.11 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 2.37 110.66 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.703 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 23.0 mtpp -128.79 109.25 11.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.838 -0.619 . . . . 3.04 109.374 177.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.45 -169.01 41.0 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 110.611 -0.996 . . . . 0.49 110.611 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -137.99 165.69 25.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.769 0.785 . . . . 1.69 111.789 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.6 t -156.03 175.22 14.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.864 -1.062 . . . . 1.15 108.969 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -139.72 159.57 41.86 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.798 0.295 . . . . 1.09 111.798 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.4 ' HB ' ' CZ ' ' A' ' 33' ' ' PHE . 4.6 t -152.01 156.5 40.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 1.07 110.181 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -106.8 118.77 37.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.777 -0.453 . . . . 2.26 109.777 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.33 158.66 43.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.334 -0.617 . . . . 1.13 109.334 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.77 7.28 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 1.73 111.398 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -154.03 155.86 36.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.009 -0.737 . . . . 2.13 109.009 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB1' ' HH ' ' A' ' 55' ' ' TYR . . . -77.42 -40.42 43.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.814 0.34 . . . . 1.32 110.747 -178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.72 -34.95 79.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.146 -0.479 . . . . 1.21 110.875 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -69.25 -29.25 67.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.86 -0.609 . . . . 1.15 110.827 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.35 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 1.09 109.38 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -61.53 -50.03 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.934 -1.03 . . . . 1.29 110.715 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 59.6 mmtt -61.77 -38.31 87.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.762 -0.654 . . . . 2.94 111.705 -175.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.1 t -74.14 -48.6 36.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 1.1 111.235 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.461 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -70.09 -23.88 63.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 1.92 112.094 -177.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 42.0 mtpt -73.23 -30.87 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.906 -0.496 . . . . 1.69 110.537 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 15.4 tm0? -76.16 -32.08 58.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.757 -1.201 . . . . 2.5 107.757 174.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.461 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 43.1 t80 -65.88 -50.14 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.197 -0.91 . . . . 2.13 110.59 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 -31.17 71.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.764 -0.653 . . . . 1.06 109.638 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' GLN . 5.9 t30 -59.46 -48.1 82.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.278 -0.874 . . . . 2.14 110.31 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -70.7 -10.53 59.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 1.78 111.543 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -99.69 -3.86 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.276 -0.42 . . . . 1.78 110.275 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.09 78.47 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.44 113.317 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.67 118.41 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 117.127 0.464 . . . . 1.12 110.992 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -136.13 123.54 22.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.52 -0.764 . . . . 1.86 109.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.24 -171.06 38.92 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.607 -0.806 . . . . 0.63 111.542 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -59.91 143.93 50.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.79 111.358 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 34' ' ' LYS . 3.9 m95 -115.89 112.61 22.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.41 110.951 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 p -106.45 153.84 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.836 -0.62 . . . . 1.25 110.578 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -150.46 151.5 32.82 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.269 0.355 . . . . 1.95 110.624 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -140.34 128.3 22.05 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.149 -1.056 . . . . 2.07 108.149 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -77.24 -9.55 58.87 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.128 0.418 . . . . 2.28 112.128 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.62 -38.06 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.543 -0.463 . . . . 1.42 111.852 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.3 p -106.92 -8.04 16.81 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.406 0.521 . . . . 1.95 112.406 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 59.55 36.36 22.81 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.186 0.517 . . . . 2.56 109.862 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.584 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.2 m -101.97 129.23 48.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.766 -0.652 . . . . 1.17 112.174 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.473 ' HH ' ' HB1' ' A' ' 26' ' ' ALA . 52.4 m-85 -110.29 135.48 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.908 -0.775 . . . . 1.98 108.908 172.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.7 m -131.29 133.6 45.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.86 -0.336 . . . . 1.44 111.193 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.11 118.88 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.619 -0.882 . . . . 1.15 108.619 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -115.16 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.818 -0.628 . . . . 1.14 111.656 -174.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' OE1' ' HG3' ' A' ' 13' ' ' LYS . 42.9 mt-10 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 2.56 110.808 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.237 0.422 0 N-CA-C 110.288 -0.264 . . . . 23.39 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.501 ' CB ' ' HD2' ' A' ' 77' ' ' PRO . 8.3 Cg_exo -67.43 173.63 8.47 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.042 1.828 . . . . 23.54 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 59.7 Cg_endo -61.97 129.71 28.34 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.587 2.191 . . . . 25.03 111.738 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.19 34.97 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 120.671 -0.776 . . . . 26.59 113.965 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -86.07 135.71 33.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 117.768 0.784 . . . . 27.13 110.154 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -123.41 132.72 54.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.789 0.328 . . . . 26.95 111.274 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.3 ttt -105.33 119.01 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.907 -1.146 . . . . 25.77 107.907 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -140.57 157.79 44.95 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.502 -0.479 . . . . 28.73 110.31 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -108.72 149.49 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.21 -0.293 . . . . 29.77 110.21 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -81.1 -178.42 6.89 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.319 -0.993 . . . . 32.42 108.319 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 p -78.67 8.1 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.095 0.474 . . . . 34.47 111.316 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.43 -2.39 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.528 -0.545 . . . . 35.43 109.528 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.01 21.67 45.15 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.765 -0.731 . . . . 31.32 113.089 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.6 t -107.45 127.22 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.855 0.359 . . . . 32.2 111.04 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.609 ' NH1' ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.79 140.76 53.39 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 28.83 112.046 179.634 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -150.8 159.35 44.59 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.813 -0.81 . . . . 30.27 108.813 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.609 ' HE1' ' NH1' ' A' ' 89' ' ' ARG . 98.0 m-85 -119.24 149.77 41.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.225 0.536 . . . . 28.69 110.728 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.9 t -108.98 116.53 52.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.728 -0.669 . . . . 29.45 109.994 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.527 ' HB3' HG23 ' A' ' 98' ' ' THR . 8.3 t70 -83.42 133.67 34.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.109 -1.071 . . . . 29.7 108.109 174.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -89.86 -20.56 23.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.83 0.678 . . . . 29.9 112.83 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -82.29 -35.56 27.88 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.185 -0.606 . . . . 31.42 111.794 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 p -102.07 -12.61 17.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.096 0.474 . . . . 33.14 109.797 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 57.38 75.42 0.37 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 114.8 -1.091 . . . . 35.9 110.518 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 93' ' ' ASP . 4.8 t -143.17 168.76 19.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.643 -1.162 . . . . 32.79 110.726 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -114.34 101.58 9.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.742 -1.207 . . . . 32.98 107.742 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 t -119.34 152.74 36.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.315 0.579 . . . . 31.05 111.895 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.529 -0.759 . . . . 32.23 109.172 177.769 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.4 m170 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 108.874 -0.787 . . . . 3.19 108.874 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.4 mmm -100.04 135.46 41.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.399 -0.593 . . . . 2.57 109.399 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -91.06 120.16 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.781 -0.367 . . . . 1.99 110.774 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.35 142.09 47.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.732 -0.84 . . . . 1.38 108.732 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.1 ptmt -112.67 147.77 36.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.847 0.356 . . . . 3.1 110.483 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.524 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -129.64 143.21 50.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.099 -0.501 . . . . 1.12 110.081 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.55 HG22 ' OD1' ' A' ' 11' ' ' ASN . 81.2 mt -125.53 124.08 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.719 -0.845 . . . . 1.31 108.719 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.64 ' O ' ' HD2' ' A' ' 16' ' ' LYS . 1.3 mm? -94.3 93.24 7.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.209 -0.663 . . . . 1.03 109.209 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.651 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -88.47 86.75 7.09 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.432 -0.951 . . . . 1.96 108.432 178.244 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.594 ' H ' ' HD2' ' A' ' 16' ' ' LYS . . . -153.15 135.57 4.93 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.297 -1.121 . . . . 0.91 110.297 177.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -57.88 -19.93 33.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.093 0.447 . . . . 3.78 111.541 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -30.63 47.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.319 -0.4 . . . . 2.46 110.805 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 99.11 1.34 Allowed 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.163 -0.31 . . . . 2.37 110.163 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.651 ' CD ' ' HA ' ' A' ' 11' ' ' ASN . 9.0 mmmm -102.88 120.23 40.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.112 0.482 . . . . 3.04 109.94 175.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.76 171.79 42.39 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.306 -0.861 . . . . 0.49 111.116 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -131.83 161.25 33.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.219 -0.289 . . . . 1.69 110.219 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.6 t -159.97 173.84 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.241 -0.436 . . . . 1.15 110.354 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.6 p -133.84 161.97 33.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.324 -0.398 . . . . 1.09 110.125 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.34 156.49 35.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.15 -0.315 . . . . 1.07 110.15 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.71 118.79 33.94 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.419 . . . . 2.26 109.867 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.8 153.63 50.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.18 -0.674 . . . . 1.13 109.18 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.22 8.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 1.73 111.262 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.599 ' HB3' ' HG1' ' A' ' 28' ' ' THR . 19.5 t70 -157.1 158.66 36.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.321 -0.622 . . . . 2.13 109.321 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.33 -50.24 19.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.464 -0.335 . . . . 1.32 111.389 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.24 -26.82 67.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.212 0.53 . . . . 1.21 110.025 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.599 ' HG1' ' HB3' ' A' ' 25' ' ' ASP . 16.4 m -72.3 -28.47 63.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.297 -0.865 . . . . 1.15 110.693 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.14 65.29 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.272 -0.64 . . . . 1.09 109.272 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 8.4 tt0 -59.26 -59.16 5.9 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.072 -0.967 . . . . 1.29 109.57 177.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.809 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 10.8 mmpt? -49.0 -41.78 35.66 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 2.94 112.515 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 28' ' ' THR . 91.6 t -73.11 -52.0 23.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.818 0.342 . . . . 1.1 111.227 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.476 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.1 m-85 -66.78 -24.08 66.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.866 0.321 . . . . 1.92 111.866 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.603 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.4 mtpt -69.87 -39.68 76.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.865 -0.42 . . . . 1.69 109.865 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -66.24 -31.51 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.814 -0.81 . . . . 2.5 108.814 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.476 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 26.6 t80 -70.05 -50.56 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.89 -1.05 . . . . 2.13 110.569 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.37 -37.08 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.95 -0.568 . . . . 1.06 110.431 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.34 -38.03 87.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.789 . . . . 2.14 110.222 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.04 -26.6 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 1.78 111.151 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -89.28 -17.45 28.94 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.228 -0.442 . . . . 1.78 110.664 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.93 10.18 61.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.841 -0.695 . . . . 0.44 112.603 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -95.27 116.42 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.867 0.365 . . . . 1.12 110.576 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -138.52 136.2 35.86 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.957 -0.757 . . . . 1.86 108.957 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.16 -170.09 41.63 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.95 -0.86 . . . . 0.63 110.95 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.568 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 11.2 pt-20 -54.94 141.18 34.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 2.79 110.681 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.603 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.7 m95 -112.56 122.31 47.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.936 0.398 . . . . 0.41 109.987 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 p -123.9 158.07 32.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.616 -0.72 . . . . 1.25 110.041 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -149.98 150.55 31.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 1.95 110.657 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -130.6 135.71 48.15 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.847 -0.797 . . . . 2.07 108.847 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -77.3 -29.66 53.8 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.763 0.316 . . . . 2.28 111.41 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.58 63.91 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.103 0.409 . . . . 1.42 112.103 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.518 ' CB ' ' HG1' ' A' ' 54' ' ' THR . 24.6 p -104.37 -11.61 17.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.312 0.856 . . . . 1.95 113.312 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER 57.92 31.24 20.31 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.424 0.631 . . . . 2.56 109.848 -177.426 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.518 ' HG1' ' CB ' ' A' ' 52' ' ' THR . 7.9 m -99.48 122.65 42.87 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.563 -0.744 . . . . 1.17 111.987 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 42.4 m-85 -93.2 134.0 35.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.588 -1.264 . . . . 1.98 107.588 171.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.0 m -132.19 131.81 42.54 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.365 -0.534 . . . . 1.44 111.655 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.54 123.75 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.217 -1.031 . . . . 1.15 108.217 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 5.5 m -118.13 126.66 52.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.654 0.613 . . . . 1.14 112.654 -173.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 107.117 -1.438 . . . . 2.56 107.117 173.084 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.236 0.347 0 N-CA-C 109.944 -0.391 . . . . 23.39 109.944 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.4 Cg_exo -72.53 149.07 49.08 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.073 1.849 . . . . 23.54 111.026 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -47.12 124.81 9.42 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.881 2.387 . . . . 25.03 112.298 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.19 -30.56 9.63 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.703 -0.681 . . . . 26.59 112.631 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.604 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -93.52 144.72 25.1 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.451 -0.574 . . . . 27.13 109.451 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -142.61 158.65 43.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.498 -0.481 . . . . 26.95 110.015 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.827 ' HE3' ' HG3' ' A' ' 89' ' ' ARG . 1.5 tmt? -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.703 -0.68 . . . . 25.77 109.572 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -147.46 156.18 42.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.809 -0.441 . . . . 28.73 109.809 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.533 ' CZ ' ' HE1' ' A' ' 81' ' ' MET . 82.4 m-85 -102.91 146.25 28.6 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.962 -0.385 . . . . 29.77 109.962 176.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 86' ' ' GLU . 26.7 p -77.69 179.42 6.62 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.95 -0.759 . . . . 32.42 108.95 175.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 p -76.05 11.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 34.47 111.611 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 84' ' ' THR . 39.4 tt0 -121.54 -2.52 9.42 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.401 -0.818 . . . . 35.43 109.139 -178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.69 21.87 52.1 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.345 -0.843 . . . . 31.32 113.236 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 68.8 t -96.79 142.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 32.2 110.999 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.827 ' HG3' ' HE3' ' A' ' 81' ' ' MET . 64.5 ttt180 -86.29 124.36 32.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 28.83 111.994 -177.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -134.1 154.48 51.16 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.807 -0.357 . . . . 30.27 110.102 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -108.07 141.7 39.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.079 0.466 . . . . 28.69 111.012 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.47 120.64 65.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.837 -0.62 . . . . 29.45 110.983 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.78 115.2 27.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.962 -1.125 . . . . 29.7 107.962 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -79.83 -5.58 55.71 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.877 0.695 . . . . 29.9 112.877 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.607 ' ND2' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER -92.32 -34.59 14.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.557 -0.457 . . . . 31.42 111.296 -178.265 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.607 HG21 ' ND2' ' A' ' 95' ' ' ASN . 39.9 p -108.18 -7.97 15.88 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 122.1 -0.375 . . . . 33.14 110.922 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 62.61 30.08 16.97 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.554 1.168 . . . . 35.9 111.187 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.3 p -104.35 156.11 18.2 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.406 -1.724 . . . . 32.79 110.776 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 p -112.57 104.21 12.3 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.235 -0.283 . . . . 32.98 110.235 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.4 t -96.02 146.86 24.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.024 0.44 . . . . 31.05 110.193 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.808 -0.441 . . . . 32.23 109.808 -179.327 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 120.472 0.177 . . . . 3.19 111.057 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.3 mtp -114.93 137.89 51.46 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.578 -0.527 . . . . 2.57 109.578 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -74.95 115.41 14.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.376 -0.374 . . . . 1.99 111.662 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -111.49 143.3 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.572 -0.899 . . . . 1.38 108.572 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -116.52 162.91 16.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.392 -0.523 . . . . 3.1 111.718 -177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 23.5 tp -145.91 125.6 13.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.185 -0.916 . . . . 1.12 111.237 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mp -113.24 119.69 61.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 108.85 -0.796 . . . . 1.31 108.85 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.45 109.67 21.06 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.583 -0.525 . . . . 1.03 109.583 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -103.58 88.42 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 1.96 109.78 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.618 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -136.6 126.84 3.9 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.844 -0.902 . . . . 0.91 110.844 178.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -48.67 -30.26 5.29 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.629 0.974 . . . . 3.78 113.629 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -95.05 -42.06 8.81 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.78 -0.368 . . . . 2.46 111.473 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -129.99 109.6 11.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.981 -0.377 . . . . 2.37 109.981 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -113.8 155.89 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.352 -0.981 . . . . 3.04 108.352 176.332 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.29 -173.03 45.89 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.596 -0.812 . . . . 0.49 111.848 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -164.94 150.45 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.8 0.333 . . . . 1.69 110.541 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 t -163.41 178.78 7.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.077 -0.51 . . . . 1.15 110.921 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.4 p -138.35 159.46 42.01 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.4 -0.364 . . . . 1.09 111.164 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -149.54 156.78 42.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.901 -0.407 . . . . 1.07 109.901 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -105.42 109.17 21.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.111 -0.495 . . . . 2.26 110.137 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.66 160.25 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.708 -0.479 . . . . 1.13 109.708 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 m -109.12 7.85 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 1.73 111.887 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -143.78 144.45 31.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.203 -0.199 . . . . 2.13 110.801 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.37 90.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 1.32 110.287 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 31' ' ' LYS . . . -61.61 -40.5 95.06 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.868 -0.605 . . . . 1.21 110.831 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 m -65.78 -34.16 77.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.507 -0.315 . . . . 1.15 111.154 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.31 78.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.059 -0.719 . . . . 1.09 109.059 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.9 tt0 -65.93 -57.27 8.23 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.795 -1.093 . . . . 1.29 109.669 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 27.9 mtpp -50.35 -46.69 55.92 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.251 0.834 . . . . 2.94 113.251 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.9 t -72.2 -46.65 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 1.1 110.947 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CG ' HD21 ' A' ' 8' ' ' LEU . 2.2 m-85 -69.86 -24.22 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.413 -0.358 . . . . 1.92 111.802 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 33.4 mtpt -67.31 -46.27 74.02 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 121.021 -0.272 . . . . 1.69 110.439 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -33.18 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.228 -1.027 . . . . 2.5 108.228 177.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -65.0 -53.99 37.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.104 -0.953 . . . . 2.13 110.62 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.32 87.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.681 . . . . 1.06 110.918 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -62.65 -34.38 76.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 2.14 110.231 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 1.78 110.628 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -76.3 -12.54 60.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.023 0.44 . . . . 1.78 110.471 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.18 10.64 57.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.05 -0.595 . . . . 0.44 112.716 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.15 100.55 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 121.762 0.791 . . . . 1.12 110.857 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -129.18 101.49 6.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.781 -1.099 . . . . 1.86 108.875 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -171.27 14.5 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.61 -0.805 . . . . 0.63 111.417 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 146.72 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 2.79 110.884 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.496 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.9 m95 -110.3 131.29 55.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.41 111.573 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 138.85 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.656 -0.868 . . . . 1.25 108.656 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -136.0 153.49 51.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.103 0.478 . . . . 1.95 111.343 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -132.24 130.04 40.42 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.879 -1.156 . . . . 2.07 107.879 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.44 -13.47 46.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.289 -0.564 . . . . 2.28 111.011 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.55 -33.1 62.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 1.42 111.348 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -116.47 -11.14 11.17 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.82 1.045 . . . . 1.95 113.82 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 66.85 23.09 10.07 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.319 0.581 . . . . 2.56 111.221 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.4 m -88.6 122.63 32.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.715 -0.675 . . . . 1.17 111.251 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 45.2 m-85 -102.53 137.31 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.745 -0.835 . . . . 1.98 108.745 174.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -128.26 127.63 43.18 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.478 -0.328 . . . . 1.44 110.599 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -109.13 117.66 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.81 -0.811 . . . . 1.15 108.81 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 m -105.44 124.42 49.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.69 -0.687 . . . . 1.14 111.562 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 108.029 -1.1 . . . . 2.56 108.029 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.231 0.116 0 N-CA-C 110.532 -0.173 . . . . 23.39 110.532 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -70.64 147.44 57.2 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.856 1.704 . . . . 23.54 110.789 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.45 127.0 15.03 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.806 2.337 . . . . 25.03 111.849 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.62 23.79 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.329 -0.938 . . . . 26.59 113.198 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -89.46 137.53 32.25 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.472 -0.566 . . . . 27.13 109.472 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -123.3 143.42 50.09 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.216 0.531 . . . . 26.95 110.99 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 55.1 ttp -113.49 112.47 23.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.124 -0.944 . . . . 25.77 108.8 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -136.99 155.31 49.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.243 -0.583 . . . . 28.73 110.141 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -122.17 152.77 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.09 -0.337 . . . . 29.77 110.09 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.7 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.371 -0.974 . . . . 32.42 108.371 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 m -79.79 15.99 1.25 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.071 0.462 . . . . 34.47 111.95 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -122.58 0.01 9.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.185 -0.461 . . . . 35.43 110.543 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.74 11.92 59.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.512 -0.851 . . . . 31.32 112.661 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.5 t -89.14 126.51 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.687 -0.486 . . . . 32.2 109.687 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -94.74 122.24 37.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.032 -0.531 . . . . 28.83 111.221 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -126.67 151.32 48.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.609 -0.515 . . . . 30.27 109.609 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -118.07 145.8 44.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.823 -0.436 . . . . 28.69 109.823 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -113.65 112.22 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.919 -0.582 . . . . 29.45 111.251 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.46 90.86 5.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.641 -0.874 . . . . 29.7 108.641 175.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -75.32 -4.09 37.2 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.801 -0.562 . . . . 29.9 110.999 -177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -73.69 -48.82 29.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.027 0.442 . . . . 31.42 110.48 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 p -104.37 -7.33 20.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 33.14 111.012 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 65.42 77.45 0.3 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.937 0.875 . . . . 35.9 111.348 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.8 t -158.53 171.65 19.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.691 -1.14 . . . . 32.79 109.543 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -123.06 143.43 49.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.88 -0.415 . . . . 32.98 109.88 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.4 t -147.29 156.7 43.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.927 -0.309 . . . . 31.05 110.429 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.34 -0.615 . . . . 32.23 109.34 178.577 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.3 m80 . . . . . 0 CA--C 1.515 -0.383 0 N-CA-C 109.824 -0.436 . . . . 3.19 109.824 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.6 tpt -122.63 149.91 43.37 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.385 -1.339 . . . . 2.57 107.385 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -86.48 102.49 14.13 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.725 -0.39 . . . . 1.99 110.35 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 57.0 m-85 -90.52 141.75 28.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.316 -0.624 . . . . 1.38 109.316 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.591 ' HD3' ' N ' ' A' ' 8' ' ' LEU . 3.9 tmtm? -120.06 146.86 45.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.326 -0.852 . . . . 3.1 109.69 -173.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.591 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 12.6 tp -141.69 142.64 33.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 1.12 110.754 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -125.27 124.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 108.763 -0.828 . . . . 1.31 108.763 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.12 99.27 12.11 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 120.169 -0.612 . . . . 1.03 109.449 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 3.6 m-80 -87.25 86.76 7.3 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.069 -1.086 . . . . 1.96 108.069 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.634 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -130.77 122.15 3.46 Favored Glycine 0 C--O 1.221 -0.671 0 CA-C-N 115.609 -0.723 . . . . 0.91 111.311 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -45.54 -40.83 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.76 1.022 . . . . 3.78 113.76 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.3 m -83.72 -42.29 16.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.72 -0.392 . . . . 2.46 111.56 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.6 tp -133.74 115.37 14.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.627 0.251 . . . . 2.37 110.741 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -115.73 148.28 39.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.235 -0.654 . . . . 3.04 109.235 178.113 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.9 -172.66 44.92 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.823 -0.703 . . . . 0.49 111.518 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -158.66 154.53 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.939 0.37 . . . . 1.69 111.252 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -152.9 -178.71 7.08 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.765 -0.652 . . . . 1.15 110.388 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.3 p -140.79 164.2 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.127 -0.488 . . . . 1.09 110.325 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -156.5 156.56 33.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.715 0.293 . . . . 1.07 110.515 176.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -94.87 99.83 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 2.26 109.935 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 6' ' ' TYR . . . -124.95 158.12 34.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.861 -0.422 . . . . 1.13 109.861 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.9 m -109.22 7.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.397 0.517 . . . . 1.73 112.397 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -159.03 160.35 35.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.835 -0.346 . . . . 2.13 111.296 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.43 -45.72 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 1.32 111.51 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 1.21 110.633 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -65.41 -34.37 78.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 1.15 110.65 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.5 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.094 0.474 . . . . 1.09 109.89 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -62.44 -58.58 7.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.355 -0.839 . . . . 1.29 109.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -48.64 -47.21 40.52 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.602 -0.726 . . . . 2.94 112.785 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.37 -48.62 66.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.732 0.301 . . . . 1.1 111.603 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.556 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 4.4 m-85 -70.67 -20.71 62.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.413 -0.358 . . . . 1.92 111.892 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.56 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 30.8 mtpt -70.92 -42.61 69.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.947 -0.39 . . . . 1.69 109.947 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -43.3 95.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.837 -1.171 . . . . 2.5 107.837 175.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.556 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 27.1 t80 -57.14 -50.74 71.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.339 -1.755 . . . . 2.13 111.414 178.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.82 -34.14 71.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 1.06 110.794 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.83 -40.26 94.67 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.875 -0.602 . . . . 2.14 110.404 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.92 -26.66 66.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 1.78 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -91.51 -4.5 55.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.065 -0.516 . . . . 1.78 110.504 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.5 78.04 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.432 -0.804 . . . . 0.44 113.193 177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -91.02 123.53 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 117.297 0.549 . . . . 1.12 110.634 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -139.64 132.96 29.97 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.532 -0.914 . . . . 1.86 108.532 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.77 -171.55 43.74 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.36 -0.924 . . . . 0.63 111.595 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.71 150.97 42.44 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.66 0.267 . . . . 2.79 110.468 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.56 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.7 m95 -114.44 138.72 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.41 111.419 -177.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.31 163.95 28.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.297 -0.865 . . . . 1.25 110.233 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -154.29 148.0 25.36 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 110.131 -0.322 . . . . 1.95 110.131 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.69 153.31 37.09 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.826 -1.175 . . . . 2.07 107.826 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -90.34 -17.43 27.33 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.714 0.635 . . . . 2.28 112.714 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.55 -49.65 7.4 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.744 -0.597 . . . . 1.42 112.153 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -104.8 -5.25 21.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 112.633 0.605 . . . . 1.95 112.633 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.95 36.4 18.74 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.496 0.665 . . . . 2.56 109.927 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.437 ' HA ' ' HB3' ' A' ' 7' ' ' LYS . 46.3 m -83.81 108.83 17.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.19 -0.913 . . . . 1.17 111.199 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 24.2 m-85 -83.62 126.97 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.25 -0.648 . . . . 1.98 109.25 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.76 121.68 41.43 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.35 -0.386 . . . . 1.44 111.576 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 57' ' ' VAL . 12.1 p -108.55 110.52 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.854 -1.165 . . . . 1.15 107.854 175.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 9.9 m -103.86 113.64 27.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.617 -0.72 . . . . 1.14 112.103 -173.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 107.761 -1.2 . . . . 2.56 107.761 176.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.235 0.301 0 N-CA-C 109.21 -0.663 . . . . 23.39 109.21 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.61 144.0 93.57 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 120.815 1.01 . . . . 23.54 110.617 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.14 124.37 10.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.989 2.459 . . . . 25.03 112.738 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.27 -24.56 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.776 -0.726 . . . . 26.59 113.654 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -86.96 128.83 35.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 117.505 0.653 . . . . 27.13 110.618 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.598 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 18.7 mm-40 -109.3 139.64 43.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.844 0.354 . . . . 26.95 110.247 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.461 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 12.0 tmm? -114.32 130.61 56.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.374 -0.973 . . . . 25.77 108.374 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 81' ' ' MET . 23.6 mttp -148.97 156.49 42.35 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 110.342 -0.244 . . . . 28.73 110.342 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.45 157.76 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.639 0.257 . . . . 29.77 110.521 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.45 ' HG1' ' HB ' ' A' ' 88' ' ' VAL . 24.6 p -90.97 168.63 11.52 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.843 -1.169 . . . . 32.42 107.843 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 p -76.33 13.97 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.399 0.518 . . . . 34.47 112.399 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -120.78 -2.91 9.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.185 0.516 . . . . 35.43 109.629 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.55 7.29 59.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.631 -0.795 . . . . 31.32 113.199 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.45 ' HB ' ' HG1' ' A' ' 84' ' ' THR . 57.6 t -87.44 145.88 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.548 -0.538 . . . . 32.2 109.548 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -104.36 136.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.48 0.181 . . . . 28.83 111.196 -175.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -143.78 158.91 43.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.236 -0.653 . . . . 30.27 109.236 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -114.57 153.71 29.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.314 0.578 . . . . 28.69 111.524 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 58.7 t -126.57 121.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.504 -0.771 . . . . 29.45 110.612 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 104.96 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.526 -0.916 . . . . 29.7 108.526 177.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -71.17 1.21 6.25 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.999 -0.438 . . . . 29.9 112.054 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -90.3 -50.06 6.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.687 -0.233 . . . . 31.42 110.889 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.3 p -100.82 -8.01 23.05 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.126 -0.23 . . . . 33.14 110.962 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 67.94 31.79 5.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.802 0.81 . . . . 35.9 110.376 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 p -99.31 156.43 17.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.463 -1.244 . . . . 32.79 110.941 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 p -107.28 104.63 14.28 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.774 -0.454 . . . . 32.98 109.774 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.2 t -109.75 157.75 18.83 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.499 0.666 . . . . 31.05 111.185 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.639 -0.71 . . . . 32.23 110.028 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p80 . . . . . 0 C--O 1.231 0.117 0 N-CA-C 109.82 -0.437 . . . . 3.19 109.82 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.2 mtp -108.81 135.84 49.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.749 -0.834 . . . . 2.57 108.749 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -92.16 116.1 28.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.972 -0.381 . . . . 1.99 109.972 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -103.71 159.42 15.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.569 -0.53 . . . . 1.38 109.569 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.11 135.02 35.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.186 -0.461 . . . . 3.1 110.127 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.411 HD21 HD12 ' A' ' 10' ' ' LEU . 19.1 tp -120.02 142.14 49.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 1.12 110.732 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.0 mt -120.5 120.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.704 -0.851 . . . . 1.31 108.704 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' HE1' ' A' ' 36' ' ' TYR . 1.2 mm? -94.02 100.78 12.84 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.417 -0.513 . . . . 1.03 109.778 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.12 87.14 4.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.483 -0.932 . . . . 1.96 108.483 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.678 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -149.03 129.78 3.17 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.231 -1.148 . . . . 0.91 110.231 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -50.76 -32.93 21.25 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.362 0.505 . . . . 3.78 112.362 -175.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -83.95 -19.63 34.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.142 0.423 . . . . 2.46 112.142 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -156.99 104.68 2.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.419 -0.586 . . . . 2.37 109.419 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 9.7 mtmt -119.39 124.65 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.893 -0.594 . . . . 3.04 110.627 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.23 -171.49 44.3 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.734 -0.667 . . . . 0.49 111.793 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -136.05 163.62 29.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.255 -0.276 . . . . 1.69 110.255 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.414 HG23 ' CE1' ' A' ' 36' ' ' TYR . 14.6 t -161.42 164.0 30.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 1.15 110.376 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -134.69 161.34 35.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.381 -0.372 . . . . 1.09 110.455 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -158.18 143.81 16.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.849 -0.426 . . . . 1.07 109.849 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.88 121.68 36.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.384 -0.599 . . . . 2.26 109.384 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.35 159.2 42.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.832 -0.433 . . . . 1.13 109.832 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.1 m -104.73 2.84 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.265 0.469 . . . . 1.73 112.265 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.438 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 4.7 m-20 -132.82 144.25 50.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.888 -0.412 . . . . 2.13 109.888 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.95 71.79 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.029 0.443 . . . . 1.32 110.25 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -72.69 -37.3 67.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.629 -0.714 . . . . 1.21 111.387 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 16.6 m -66.24 -33.89 76.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.517 -0.311 . . . . 1.15 111.452 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.23 75.21 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.341 0.591 . . . . 1.09 109.639 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 18.4 tt0 -62.61 -57.1 12.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.648 -1.16 . . . . 1.29 109.95 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.4 mmtp -56.92 -43.96 81.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.407 -0.815 . . . . 2.94 112.707 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.24 -44.36 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 1.1 110.87 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.417 ' HD2' ' HA ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -70.0 -21.5 63.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.456 . . . . 1.92 112.024 -179.16 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.617 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.0 mtpp -76.39 -34.65 58.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.45 -0.574 . . . . 1.69 109.45 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -74.11 -30.98 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.85 -0.796 . . . . 2.5 108.85 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.437 ' HE1' HD23 ' A' ' 10' ' ' LEU . 42.2 t80 -64.04 -50.31 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.619 -0.719 . . . . 2.13 109.543 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 1.06 110.042 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -59.71 -40.73 88.96 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.463 -0.789 . . . . 2.14 110.332 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.31 -21.31 65.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 1.78 111.232 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -101.97 2.47 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.69 23.37 76.78 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 115.96 -0.564 . . . . 0.44 113.089 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.89 118.97 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.104 0.478 . . . . 1.12 110.536 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -150.41 97.88 2.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.705 -0.679 . . . . 1.86 109.246 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -130.87 -169.47 12.47 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 121.154 -0.546 . . . . 0.63 111.842 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.49 129.39 35.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.752 0.311 . . . . 2.79 110.197 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.617 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.0 m95 -100.18 115.0 28.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.838 -0.619 . . . . 0.41 111.372 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.426 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 21.6 p -116.46 160.18 20.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 1.25 109.942 178.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -144.6 156.81 44.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.92 0.39 . . . . 1.95 111.089 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.88 129.22 29.9 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.983 -1.117 . . . . 2.07 107.983 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -79.61 -23.6 42.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.019 0.378 . . . . 2.28 112.019 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.23 -37.42 45.39 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.915 -0.314 . . . . 1.42 111.714 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 p -97.87 -14.14 20.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.771 0.656 . . . . 1.95 112.771 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 63.11 13.05 6.49 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.55 0.69 . . . . 2.56 110.37 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.6 m -84.9 132.16 34.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.326 -0.852 . . . . 1.17 112.136 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -96.5 130.81 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.702 -1.221 . . . . 1.98 107.702 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.426 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 19.9 m -118.23 111.55 18.94 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.519 -0.472 . . . . 1.44 111.023 -176.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 57' ' ' VAL . 11.3 p -101.89 110.76 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.921 -0.77 . . . . 1.15 108.921 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -109.8 123.05 48.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 1.14 112.316 -173.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 . . . . . 0 C--N 1.326 -0.456 0 N-CA-C 109.086 -0.709 . . . . 2.56 109.086 176.008 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.287 0.089 . . . . 23.39 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -64.6 154.49 71.84 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.202 1.935 . . . . 23.54 111.211 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -49.65 119.17 4.38 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.851 2.367 . . . . 25.03 112.378 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.22 -28.57 15.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.868 -0.682 . . . . 26.59 113.335 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -82.95 125.91 31.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.836 0.818 . . . . 27.13 110.155 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 42.7 mt-10 -120.63 136.69 54.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.85 0.357 . . . . 26.95 110.845 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 54.9 ttp -104.82 124.58 49.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.737 -0.838 . . . . 25.77 108.737 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.604 ' HD2' HG22 ' A' ' 92' ' ' VAL . 87.8 mttt -142.07 153.5 44.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.399 -0.593 . . . . 28.73 109.399 -176.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 89.9 m-85 -118.43 159.15 23.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.034 0.445 . . . . 29.77 111.605 -175.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.7 p -95.99 170.48 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.439 -0.948 . . . . 32.42 108.439 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -77.02 14.21 0.91 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.174 0.511 . . . . 34.47 111.509 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -121.28 2.83 10.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 35.43 110.13 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.19 19.68 62.17 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.682 -0.77 . . . . 31.32 112.29 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.68 143.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.59 -0.522 . . . . 32.2 109.59 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.5 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 9.5 ttt180 -98.62 131.15 45.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.928 -0.578 . . . . 28.83 111.232 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -138.97 151.52 46.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.048 -0.723 . . . . 30.27 109.048 173.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -114.22 146.28 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.019 0.437 . . . . 28.69 110.467 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.604 HG22 ' HD2' ' A' ' 82' ' ' LYS . 47.5 t -115.73 110.57 32.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.804 -0.635 . . . . 29.45 111.022 -176.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.78 87.09 2.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 107.181 -1.415 . . . . 29.7 107.181 173.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -75.22 -2.25 27.11 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.996 -0.44 . . . . 29.9 111.442 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -76.14 -42.17 47.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 31.42 109.815 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.1 p -104.77 -13.46 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.471 . . . . 33.14 110.172 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 66.09 69.58 0.44 Allowed 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 114.849 -1.068 . . . . 35.9 111.036 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -142.4 156.09 45.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 113.704 -1.589 . . . . 32.79 109.509 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.7 p -107.56 142.78 36.95 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.797 -0.361 . . . . 32.98 110.858 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -150.36 158.7 44.44 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.567 0.223 . . . . 31.05 110.654 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 110.143 -0.317 . . . . 32.23 110.143 179.087 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 109.098 -0.705 . . . . 3.19 109.098 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ptp -108.32 138.22 44.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.383 0.538 . . . . 2.57 109.831 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -70.27 135.11 48.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 1.99 111.545 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 9.3 m-85 -124.96 154.63 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.563 -0.744 . . . . 1.38 109.183 176.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.703 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.4 ptpt -137.12 153.6 50.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.719 0.295 . . . . 3.1 111.254 -178.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.624 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.8 tp -141.1 138.64 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.637 -0.71 . . . . 1.12 110.483 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.4 mt -119.64 124.29 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 108.724 -0.843 . . . . 1.31 108.724 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.76 105.64 17.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.224 -0.658 . . . . 1.03 109.224 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -101.65 86.29 2.91 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 120.189 -0.605 . . . . 1.96 109.604 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.597 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -142.43 123.51 2.19 Favored Glycine 0 C--O 1.218 -0.854 0 N-CA-C 109.45 -1.46 . . . . 0.91 109.45 176.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -41.18 -42.44 2.06 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.705 1.002 . . . . 3.78 113.705 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -79.36 -31.61 42.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.168 -0.332 . . . . 2.46 111.885 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -133.62 106.79 7.6 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.139 -0.351 . . . . 2.37 110.831 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 10.3 mtmm -126.36 128.75 47.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.091 0.472 . . . . 3.04 110.955 -177.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.89 -169.17 40.98 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.49 110.991 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.93 163.59 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.217 0.509 . . . . 1.69 111.054 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -161.44 164.36 29.85 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.529 -0.545 . . . . 1.15 109.529 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.1 p -128.82 158.41 38.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.574 0.226 . . . . 1.09 111.231 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 t -156.22 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.987 -0.745 . . . . 1.07 108.987 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -102.46 138.03 39.91 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.958 -0.386 . . . . 2.26 109.958 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.52 162.06 41.35 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 110.361 -0.237 . . . . 1.13 110.361 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.432 HG22 ' OD2' ' A' ' 25' ' ' ASP . 30.1 m -101.51 -9.71 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.302 0.482 . . . . 1.73 112.302 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.444 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 19.6 m-20 -137.19 153.15 50.5 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.994 -0.373 . . . . 2.13 109.994 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.82 -39.71 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.38 . . . . 1.32 110.791 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.63 -35.36 80.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 1.21 111.009 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 5.2 m -67.48 -33.0 74.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 1.15 111.06 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -33.4 70.31 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.51 0.672 . . . . 1.09 109.267 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -67.36 -55.81 12.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.851 -1.068 . . . . 1.29 109.515 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 27.4 mmmt -51.06 -43.11 60.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.828 -0.624 . . . . 2.94 112.531 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.62 -50.44 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.733 0.302 . . . . 1.1 111.436 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.551 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 6.5 m-85 -66.75 -22.98 66.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.938 0.347 . . . . 1.92 111.938 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 37.6 mtpt -70.78 -43.17 69.27 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.093 -0.336 . . . . 1.69 110.093 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.58 -31.11 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.053 -0.721 . . . . 2.5 109.053 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.551 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 19.2 t80 -66.93 -47.89 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.836 -1.074 . . . . 2.13 110.551 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.18 65.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.009 -0.541 . . . . 1.06 110.43 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -61.96 -45.35 94.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.412 -0.813 . . . . 2.14 110.032 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.2 -24.05 67.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.927 -0.579 . . . . 1.78 111.099 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -94.74 -7.35 40.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 1.78 110.798 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.84 27.93 61.81 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.027 -0.606 . . . . 0.44 113.151 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.22 120.48 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.105 -0.702 . . . . 1.12 109.105 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.02 98.51 3.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.458 -0.792 . . . . 1.86 109.008 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.81 -169.32 16.51 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.768 -0.533 . . . . 0.63 111.768 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.24 144.88 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.697 0.284 . . . . 2.79 111.247 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.582 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.0 m95 -114.14 116.1 28.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.934 -0.575 . . . . 0.41 111.45 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 p -109.89 158.95 17.66 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.892 -0.595 . . . . 1.25 109.826 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -151.9 140.17 20.39 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.993 -0.283 . . . . 1.95 111.092 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.688 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.2 p30 -112.3 150.44 30.98 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.512 -0.921 . . . . 2.07 108.512 176.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.9 -60.5 2.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.283 0.845 . . . . 2.28 113.283 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.86 88.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.497 0.925 . . . . 1.42 113.497 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -99.67 -8.09 24.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.314 0.857 . . . . 1.95 113.314 -175.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 56.38 40.2 29.81 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.134 0.493 . . . . 2.56 111.266 177.419 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.703 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.0 m -90.05 107.76 19.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.018 -0.537 . . . . 1.17 111.372 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.624 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 29.9 m-85 -83.9 128.29 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.698 -0.853 . . . . 1.98 108.698 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.1 m -125.79 121.46 33.38 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.794 -0.362 . . . . 1.44 110.711 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -104.12 112.59 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.479 -0.934 . . . . 1.15 108.479 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.5 m -108.25 124.31 50.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.536 -0.756 . . . . 1.14 111.246 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 . . . . . 0 C--O 1.238 0.47 0 CA-C-N 115.912 -0.586 . . . . 2.56 110.037 178.426 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.235 0.332 0 N-CA-C 109.969 -0.382 . . . . 23.39 109.969 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.756 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 3.0 Cg_exo -76.69 173.28 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.057 1.838 . . . . 23.54 110.35 178.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 65.8 Cg_endo -64.42 128.37 21.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.615 2.21 . . . . 25.03 111.637 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -8.91 61.79 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 120.459 -0.877 . . . . 26.59 114.612 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.756 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.0 m95 -98.3 114.63 27.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.707 1.254 . . . . 27.13 111.161 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.609 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 49.3 mt-10 -105.65 142.68 34.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.419 -0.585 . . . . 26.95 109.419 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -134.85 134.74 41.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.281 -0.266 . . . . 25.77 110.281 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -160.76 157.01 26.16 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.842 -0.429 . . . . 28.73 109.842 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -102.29 148.76 25.07 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.66 -0.246 . . . . 29.77 110.675 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 p -86.96 -178.35 6.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.248 -0.433 . . . . 32.42 110.441 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p -65.26 -38.38 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.409 0.522 . . . . 34.47 112.409 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.05 9.45 14.67 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.812 0.339 . . . . 35.43 111.27 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.25 14.87 67.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.006 -0.616 . . . . 31.32 113.763 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.7 t -86.75 134.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.985 0.393 . . . . 32.2 110.236 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.498 HH21 ' HZ ' ' A' ' 91' ' ' PHE . 48.5 ttt180 -93.35 127.42 38.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.969 -0.559 . . . . 28.83 110.448 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -132.73 155.27 49.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.396 -0.522 . . . . 30.27 110.245 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.498 ' HZ ' HH21 ' A' ' 89' ' ' ARG . 19.5 m-85 -114.43 146.63 40.38 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.203 0.525 . . . . 28.69 110.971 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.609 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.4 t -120.22 103.83 14.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.347 -0.842 . . . . 29.45 110.042 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.473 ' HB2' ' HG1' ' A' ' 98' ' ' THR . 8.2 m-20 -74.7 92.47 2.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.625 -1.25 . . . . 29.7 107.625 176.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -71.84 -13.01 61.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.958 0.409 . . . . 29.9 110.599 -175.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -74.4 -33.92 63.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 31.42 110.329 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.2 p -112.38 -10.02 13.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.591 0.234 . . . . 33.14 111.293 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 62.31 72.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.084 0.945 . . . . 35.9 110.654 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.473 ' HG1' ' HB2' ' A' ' 93' ' ' ASP . 1.4 p -149.9 156.56 41.98 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.173 -1.376 . . . . 32.79 110.043 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -112.56 126.62 55.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.588 -0.523 . . . . 32.98 109.588 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.7 t -132.09 156.18 46.79 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.109 0.481 . . . . 31.05 111.053 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.782 -0.644 . . . . 32.23 110.882 179.405 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.0 m170 . . . . . 0 C--O 1.233 0.188 0 N-CA-C 110.357 -0.238 . . . . 3.19 110.357 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.8 mtp -121.19 137.37 54.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.183 -1.043 . . . . 2.57 108.183 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -83.78 116.14 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 1.99 111.121 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.439 ' CE1' ' HE3' ' A' ' 53' ' ' LYS . 59.3 m-85 -107.91 156.67 18.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.829 -0.623 . . . . 1.38 109.366 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 8.8 ptpp? -134.01 155.19 50.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.303 -0.408 . . . . 3.1 111.59 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.6 tp -136.52 145.03 44.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 1.12 110.084 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.471 HG12 ' HG2' ' A' ' 18' ' ' GLU . 82.8 mt -124.09 123.35 66.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.082 -0.71 . . . . 1.31 109.082 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.4 mm? -92.15 104.57 16.94 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.304 -0.628 . . . . 1.03 109.304 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 6.7 m120 -95.18 85.22 4.24 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.784 -0.821 . . . . 1.96 108.784 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.78 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -144.42 144.23 13.09 Favored Glycine 0 C--O 1.222 -0.618 0 CA-C-N 115.786 -0.643 . . . . 0.91 112.406 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -49.38 -45.65 46.24 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.41 0.684 . . . . 3.78 112.564 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -104.92 8.7 34.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.379 . . . . 2.46 111.056 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.05 95.58 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.983 -0.747 . . . . 2.37 108.983 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.78 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 88.7 mttt -133.52 111.15 10.46 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.687 -0.688 . . . . 3.04 109.993 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.36 -172.4 44.84 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.496 -1.042 . . . . 0.49 110.496 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.471 ' HG2' HG12 ' A' ' 9' ' ' ILE . 27.4 mt-10 -135.27 167.08 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.25 0.525 . . . . 1.69 110.658 -178.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.437 HG23 ' CE2' ' A' ' 36' ' ' TYR . 15.3 t -159.41 161.41 35.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.648 . . . . 1.15 109.249 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -138.1 159.18 42.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.988 0.423 . . . . 1.09 111.672 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -159.32 156.56 28.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.734 -0.666 . . . . 1.07 109.247 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.73 124.5 48.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.064 0.459 . . . . 2.26 109.852 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.82 157.55 46.49 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.957 -0.386 . . . . 1.13 109.957 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 -25.76 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 111.595 0.22 . . . . 1.73 111.595 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -135.95 158.17 45.05 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.871 -0.418 . . . . 2.13 109.871 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.02 65.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.562 -0.29 . . . . 1.32 111.047 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.97 74.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.078 0.466 . . . . 1.21 110.384 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.3 m -73.41 -28.88 62.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.462 -0.79 . . . . 1.15 110.454 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.03 -37.76 64.23 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.163 -0.472 . . . . 1.09 110.193 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.29 -57.98 8.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.72 -0.673 . . . . 1.29 109.464 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 29.8 mmtp -48.71 -45.22 38.98 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.977 -1.011 . . . . 2.94 113.362 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 28' ' ' THR . 92.6 t -68.21 -45.5 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 121.187 -0.205 . . . . 1.1 111.193 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.609 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.3 m-85 -71.0 -16.88 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.891 -0.323 . . . . 1.92 111.475 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -67.83 -44.53 77.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.502 -0.555 . . . . 1.69 109.502 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.436 ' OE1' ' HA ' ' A' ' 35' ' ' GLN . 6.3 tp60 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 2.5 109.231 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.609 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 33.8 t80 -68.26 -48.18 65.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.025 -0.989 . . . . 2.13 110.419 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.7 -32.18 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 1.06 110.039 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.47 -41.62 98.91 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.689 -0.687 . . . . 2.14 109.598 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.23 -20.1 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.351 -0.84 . . . . 1.78 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -93.63 -12.53 29.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.528 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.87 29.62 41.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.162 -0.542 . . . . 0.44 113.135 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.15 116.73 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 117.611 0.706 . . . . 1.12 111.064 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -114.36 132.53 56.17 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.272 -1.01 . . . . 1.86 108.272 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.02 -175.23 47.15 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.801 -1.19 . . . . 0.63 112.772 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -72.65 150.96 42.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.985 0.421 . . . . 2.79 110.499 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -111.71 103.99 12.31 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.785 -0.643 . . . . 0.41 110.803 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -104.63 155.19 19.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 1.25 109.927 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -148.22 149.75 32.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 1.95 110.864 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -129.62 131.16 46.39 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.354 -0.98 . . . . 2.07 108.354 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.99 -22.1 31.49 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.266 -0.271 . . . . 2.28 111.569 -173.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.44 -36.78 57.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.855 0.36 . . . . 1.42 111.245 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.514 ' CB ' ' HG1' ' A' ' 54' ' ' THR . 29.2 p -99.59 -17.45 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.362 0.504 . . . . 1.95 112.362 -178.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' HE3' ' CE1' ' A' ' 6' ' ' TYR . 28.0 mmmt 61.35 47.8 6.57 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.664 -0.865 . . . . 2.56 108.664 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.572 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 9.8 m -117.42 124.77 49.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.706 -1.134 . . . . 1.17 112.029 -174.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.4 m-85 -95.48 130.1 42.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.674 -0.862 . . . . 1.98 108.674 173.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -124.56 124.09 41.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.087 -0.383 . . . . 1.44 110.941 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -107.47 109.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.26 -1.015 . . . . 1.15 108.26 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.41 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 5.4 m -97.99 118.15 33.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.977 -0.556 . . . . 1.14 111.048 -175.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.723 -0.671 . . . . 2.56 109.458 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.405 HD23 ' H ' ' A' ' 75' ' ' LEU . 3.2 mm? . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 110.006 -0.368 . . . . 23.39 110.006 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.28 150.63 83.87 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.383 2.055 . . . . 23.54 111.966 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -49.5 120.43 5.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.717 2.278 . . . . 25.03 111.95 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.13 -29.53 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.297 -0.954 . . . . 26.59 113.134 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -90.07 126.0 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 117.507 0.654 . . . . 27.13 110.325 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.3 150.15 45.74 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 122.103 -0.373 . . . . 26.95 110.054 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -128.14 127.37 42.86 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.312 -0.625 . . . . 25.77 109.312 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -141.12 160.28 40.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.441 -0.577 . . . . 28.73 109.441 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -112.26 149.16 32.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.617 0.246 . . . . 29.77 110.889 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.448 ' HG1' ' HB ' ' A' ' 88' ' ' VAL . 29.9 p -83.45 178.86 7.84 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.661 -0.866 . . . . 32.42 108.661 175.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 m -68.64 -11.52 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.66 0.985 . . . . 34.47 113.66 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 7.9 15.0 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.886 0.374 . . . . 35.43 111.2 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.91 63.65 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.14 -1.029 . . . . 31.32 112.982 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.448 ' HB ' ' HG1' ' A' ' 84' ' ' THR . 93.3 t -64.11 132.94 30.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.607 -0.886 . . . . 32.2 108.607 177.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HE ' ' HB3' ' A' ' 89' ' ' ARG . 0.2 OUTLIER -104.69 145.07 30.87 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.808 0.337 . . . . 28.83 111.567 -175.466 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -138.56 155.16 48.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.245 -0.65 . . . . 30.27 109.245 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -107.86 155.5 20.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 120.419 -0.512 . . . . 28.69 110.089 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.5 102.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.942 -0.572 . . . . 29.45 110.266 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.35 86.31 1.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.186 -1.042 . . . . 29.7 108.186 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -70.71 -14.91 62.63 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.205 -0.309 . . . . 29.9 111.63 -174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.606 HD21 ' N ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -82.65 -17.79 43.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.789 0.292 . . . . 31.42 111.789 179.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.606 ' N ' HD21 ' A' ' 95' ' ' ASN . 2.6 p -120.85 -1.61 9.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.72 0.295 . . . . 33.14 110.684 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 56.74 67.01 1.05 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.974 0.892 . . . . 35.9 111.182 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 t -159.74 170.58 21.22 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.326 -1.306 . . . . 32.79 109.968 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 p -124.51 101.52 7.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.199 -0.455 . . . . 32.98 110.761 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 t -89.96 159.59 16.83 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.796 -0.446 . . . . 31.05 109.796 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.44 -0.961 0 C-N-CA 119.491 -0.884 . . . . 32.23 110.823 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 39.3 m170 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.849 0.357 . . . . 3.19 110.983 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.5 mtp -111.6 138.84 47.61 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.343 -0.984 . . . . 2.57 108.343 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -80.35 118.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.858 0.361 . . . . 1.99 111.271 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 54.6 m-85 -120.03 139.18 52.92 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.139 -0.689 . . . . 1.38 109.139 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HB3' HG21 ' A' ' 20' ' ' THR . 14.8 ptpt -122.69 158.43 30.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.32 0.581 . . . . 3.1 111.43 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -139.49 137.55 35.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.961 -1.018 . . . . 1.12 110.159 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mt -116.37 122.38 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.155 -0.683 . . . . 1.31 109.155 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -92.88 107.91 19.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 109.142 -0.688 . . . . 1.03 109.142 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.36 85.88 2.56 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.886 -1.154 . . . . 1.96 107.886 177.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.649 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.33 139.17 7.13 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.488 -0.778 . . . . 0.91 111.544 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 11.3 mmmm -47.73 -31.63 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.733 0.813 . . . . 3.78 112.763 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 p -80.19 -33.25 38.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 2.46 111.783 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -150.97 112.7 4.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.459 -0.337 . . . . 2.37 111.037 -176.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 1.5 mtmt -122.18 111.9 17.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 3.04 109.96 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.64 -171.72 43.98 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.305 -1.118 . . . . 0.49 110.305 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.66 157.39 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.49 0.645 . . . . 1.69 111.693 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -155.22 179.63 8.97 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.138 -0.483 . . . . 1.15 110.568 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.527 HG21 ' HB3' ' A' ' 7' ' ' LYS . 52.8 p -133.69 157.7 45.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 111.999 0.37 . . . . 1.09 111.999 -177.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -146.14 156.71 43.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.788 -0.819 . . . . 1.07 108.788 175.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 49.0 mt-10 -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.651 -0.249 . . . . 2.26 110.497 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.66 158.48 43.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.696 -0.483 . . . . 1.13 109.696 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -103.3 6.83 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 117.787 0.267 . . . . 1.73 111.557 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -153.12 156.9 39.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.717 0.294 . . . . 2.13 110.558 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.77 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.905 -0.589 . . . . 1.32 111.139 -177.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.67 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.04 0.448 . . . . 1.21 110.256 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -64.12 -29.85 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.524 -0.762 . . . . 1.15 110.395 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.22 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.195 0.521 . . . . 1.09 109.965 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.22 -56.9 12.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.917 -1.038 . . . . 1.29 109.894 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -48.57 -44.54 36.75 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.131 -0.94 . . . . 2.94 113.487 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -66.68 -47.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.706 0.289 . . . . 1.1 111.413 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.46 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.6 m-85 -66.65 -20.93 66.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.579 -0.282 . . . . 1.92 111.289 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 34' ' ' LYS . 11.1 mtpt -68.76 -41.17 79.23 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.658 -0.497 . . . . 1.69 109.658 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -70.39 -33.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.873 -0.788 . . . . 2.5 108.873 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.46 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 38.1 t80 -65.75 -50.28 65.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.784 -1.098 . . . . 2.13 110.946 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.52 -33.64 71.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.094 0.473 . . . . 1.06 110.285 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -56.53 -57.0 14.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.081 -0.963 . . . . 2.14 111.517 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -17.86 64.07 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.183 0.438 . . . . 1.78 112.183 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -86.54 -13.6 45.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.994 0.426 . . . . 1.78 110.278 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.23 28.81 26.89 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.543 -0.753 . . . . 0.44 112.584 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.33 114.59 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 120.979 0.418 . . . . 1.12 110.388 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -144.14 97.01 2.98 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.74 0.781 . . . . 1.86 109.448 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -132.74 -166.93 11.62 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.463 -1.055 . . . . 0.63 110.463 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.602 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 13.4 pt-20 -53.45 133.43 40.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.789 0.328 . . . . 2.79 110.169 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -108.9 118.49 36.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.486 -0.325 . . . . 0.41 110.626 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.463 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 25.6 p -126.36 149.03 49.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.157 -0.474 . . . . 1.25 110.703 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -141.23 137.56 32.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.95 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -121.85 135.66 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.906 -1.146 . . . . 2.07 107.906 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -87.9 -10.26 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 2.28 110.984 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.14 -36.57 64.16 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.64 -0.424 . . . . 1.42 110.837 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -109.69 -15.12 14.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.677 0.621 . . . . 1.95 112.677 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HG3' ' CE1' ' A' ' 6' ' ' TYR . 14.1 mptt 64.9 34.58 9.02 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.282 0.563 . . . . 2.56 110.23 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.7 m -101.9 119.02 38.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 1.17 112.07 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 37.2 m-85 -89.72 127.73 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.202 -1.036 . . . . 1.98 108.202 171.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.463 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 12.7 m -120.09 118.26 30.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.12 -0.491 . . . . 1.44 110.844 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.403 ' O ' HG11 ' A' ' 57' ' ' VAL . 14.4 p -113.86 110.83 33.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.458 0.647 . . . . 1.15 109.324 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.602 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 25.0 m -109.83 122.73 48.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.762 -0.653 . . . . 1.14 111.812 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 N--CA 1.471 0.584 0 CA-C-N 116.075 -0.512 . . . . 2.56 110.401 178.457 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.233 0.194 0 N-CA-C 109.696 -0.483 . . . . 23.39 109.696 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 17.1 Cg_exo -69.6 147.89 64.92 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.938 1.759 . . . . 23.54 111.02 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -47.09 125.23 9.92 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.797 2.331 . . . . 25.03 112.052 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.61 -26.42 24.02 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.662 -0.78 . . . . 26.59 112.999 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.514 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.5 m95 -91.7 142.67 27.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.109 0.455 . . . . 27.13 110.552 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.608 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 9.6 tp10 -128.75 156.72 43.08 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.91 -0.774 . . . . 26.95 108.91 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.49 ' SD ' ' HD2' ' A' ' 89' ' ' ARG . 14.9 tmm? -138.33 120.6 15.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.188 -0.301 . . . . 25.77 110.188 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -141.52 163.29 33.33 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 109.85 -0.426 . . . . 28.73 109.85 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -107.58 158.57 17.13 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.648 0.261 . . . . 29.77 111.278 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.5 p -86.44 -161.54 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.041 -0.527 . . . . 32.42 109.674 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 p -85.48 -4.66 59.23 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.423 0.527 . . . . 34.47 112.423 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -120.81 14.0 11.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.903 0.382 . . . . 35.43 111.466 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.92 15.56 64.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 31.32 113.656 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.25 126.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.191 0.496 . . . . 32.2 109.937 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.49 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 1.3 ttt180 -89.18 127.38 35.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.77 -0.65 . . . . 28.83 111.847 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -122.34 153.26 39.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.891 -0.595 . . . . 30.27 109.726 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -98.1 144.47 27.56 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.129 -0.693 . . . . 28.69 109.129 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.608 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 48.2 t -127.66 112.64 28.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 29.45 111.258 -172.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.18 78.44 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.336 -0.616 . . . . 29.7 109.336 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -52.07 -20.25 2.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.092 0.557 . . . . 29.9 111.552 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -79.45 -31.0 42.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.105 -0.498 . . . . 31.42 112.005 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.6 p -117.05 -5.62 11.41 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 33.14 111.229 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 61.01 76.93 0.35 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.549 -0.751 . . . . 35.9 111.072 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.91 158.83 39.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.411 -1.268 . . . . 32.79 110.221 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.6 p -116.19 136.82 52.67 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.68 -0.489 . . . . 32.98 109.68 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -150.43 148.77 29.16 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.456 -0.498 . . . . 31.05 111.086 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.05 -0.523 . . . . 32.23 110.04 178.182 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.2 m80 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 110.287 -0.264 . . . . 3.19 110.287 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.6 tpt -138.61 171.52 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.6 -0.889 . . . . 2.57 108.6 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -105.2 120.04 40.54 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.147 -0.478 . . . . 1.99 110.909 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -114.87 138.29 50.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.452 -0.944 . . . . 1.38 108.452 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -123.02 163.38 20.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.224 0.535 . . . . 3.1 111.317 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.463 HD11 ' O ' ' A' ' 55' ' ' TYR . 14.8 tp -140.53 144.05 35.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.227 -0.897 . . . . 1.12 109.481 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.764 HG12 ' HG2' ' A' ' 18' ' ' GLU . 96.7 mt -119.01 123.09 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.043 -0.725 . . . . 1.31 109.043 177.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.85 95.02 9.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.27 -0.641 . . . . 1.03 109.27 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.404 ' HB2' HG21 ' A' ' 58' ' ' THR . 80.6 m-20 -87.85 81.75 7.48 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 107.689 -1.226 . . . . 1.96 107.689 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.31 129.0 4.03 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.233 -1.147 . . . . 0.91 110.233 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -55.26 -20.02 9.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.525 0.565 . . . . 3.78 112.525 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 p -79.88 -48.36 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.064 0.459 . . . . 2.46 110.73 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tp -140.29 113.34 8.3 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.95 -0.568 . . . . 2.37 110.312 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.3 mppt? -111.66 125.58 54.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.678 -0.49 . . . . 3.04 109.678 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.47 -169.66 41.38 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.568 -0.825 . . . . 0.49 112.097 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.764 ' HG2' HG12 ' A' ' 9' ' ' ILE . 43.0 mt-10 -137.64 167.63 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 1.69 110.564 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.466 HG22 ' CE1' ' A' ' 36' ' ' TYR . 14.5 t -159.78 166.05 31.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 1.15 110.072 177.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -136.94 159.98 40.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.691 0.281 . . . . 1.09 111.282 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -159.8 155.86 26.53 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.324 -0.398 . . . . 1.07 110.224 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -91.68 128.85 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.021 -0.733 . . . . 2.26 109.021 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.16 154.15 37.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.583 -0.447 . . . . 1.13 110.382 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.411 HG22 ' OD2' ' A' ' 25' ' ' ASP . 27.9 m -106.05 2.78 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.743 0.306 . . . . 1.73 111.585 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.423 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 11.8 m-20 -145.98 156.53 43.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.158 -0.682 . . . . 2.13 109.158 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.35 -40.18 27.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.446 -0.575 . . . . 1.32 109.446 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.14 90.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.807 -0.633 . . . . 1.21 111.114 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.423 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 6.0 m -67.88 -29.2 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 1.15 110.666 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.9 62.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.794 -0.447 . . . . 1.09 109.794 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 13.2 tt0 -61.1 -57.99 10.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.628 -0.714 . . . . 1.29 109.886 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.3 -43.71 61.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.823 0.675 . . . . 2.94 112.823 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 28' ' ' THR . 63.8 t -71.03 -49.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.724 0.297 . . . . 1.1 111.121 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.478 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.7 m-30 -66.78 -20.0 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 1.92 111.932 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 34.0 mtpt -73.16 -41.76 63.55 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.83 -0.348 . . . . 1.69 110.101 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -65.69 -32.53 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.91 -0.774 . . . . 2.5 108.91 174.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.478 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 18.0 t80 -65.1 -50.19 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.764 -1.107 . . . . 2.13 110.428 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.93 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.655 -0.702 . . . . 1.06 110.271 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.56 -42.65 92.91 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.346 -0.843 . . . . 2.14 111.252 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -25.79 66.38 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.114 0.483 . . . . 1.78 111.177 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -102.72 1.59 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 1.78 111.197 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.51 29.09 64.32 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.054 -0.593 . . . . 0.44 113.296 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.3 116.11 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.868 0.366 . . . . 1.12 110.597 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -150.71 129.54 12.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.747 -0.661 . . . . 1.86 109.427 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' O ' ' HD1' ' A' ' 46' ' ' TRP . . . -170.28 -168.4 32.06 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.843 -0.903 . . . . 0.63 110.843 -174.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.9 128.79 28.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.005 0.431 . . . . 2.79 110.46 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.628 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.8 m95 -106.75 113.53 27.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.325 -0.852 . . . . 0.41 110.437 -177.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 p -124.71 158.46 33.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 1.25 110.791 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -139.17 152.87 47.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.235 . . . . 1.95 110.724 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.498 ' HB3' HG22 ' A' ' 52' ' ' THR . 2.8 t70 -133.3 114.97 14.36 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.974 -0.751 . . . . 2.07 108.974 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.09 -36.73 80.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.039 0.447 . . . . 2.28 111.415 -175.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.72 63.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.672 -0.695 . . . . 1.42 112.484 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 49' ' ' ASP . 12.8 t -130.13 3.9 4.81 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.826 1.047 . . . . 1.95 113.826 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 44.53 35.09 1.25 Allowed 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.253 0.549 . . . . 2.56 111.39 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -112.38 117.36 32.23 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.912 -0.585 . . . . 1.17 110.958 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.463 ' O ' HD11 ' A' ' 8' ' ' LEU . 17.2 m-85 -83.65 137.65 33.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 1.98 109.327 173.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.43 121.84 39.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.231 -0.44 . . . . 1.44 111.85 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -115.0 118.58 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.87 -1.53 . . . . 1.15 106.87 175.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.404 HG21 ' HB2' ' A' ' 11' ' ' ASN . 3.8 m -124.37 120.07 31.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.292 0.567 . . . . 1.14 112.18 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 114.743 -1.117 . . . . 2.56 109.879 175.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 81' ' ' MET . 3.1 mm? . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 109.698 -0.482 . . . . 23.39 109.698 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.543 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 26.1 Cg_exo -64.17 160.96 35.86 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.186 1.924 . . . . 23.54 110.444 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -60.24 124.59 15.52 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.658 1.572 . . . . 25.03 110.817 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.93 -25.92 26.46 Favored Glycine 0 C--N 1.314 -0.686 0 C-N-CA 120.304 -0.95 . . . . 26.59 113.697 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.543 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -92.21 141.88 28.09 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 117.883 0.842 . . . . 27.13 111.739 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -129.07 148.89 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.568 -0.53 . . . . 26.95 109.568 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.496 ' HB2' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -123.28 131.23 53.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.522 -0.548 . . . . 25.77 109.522 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -150.45 156.39 41.37 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.735 -0.469 . . . . 28.73 109.735 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . 0.467 ' CE1' ' HE2' ' A' ' 81' ' ' MET . 71.6 m-85 -111.86 151.83 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 110.391 -0.225 . . . . 29.77 110.391 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.428 ' C ' ' H ' ' A' ' 86' ' ' GLU . 13.7 p -88.06 166.3 14.55 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.509 -1.293 . . . . 32.42 107.509 173.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 p -75.71 14.97 0.55 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.253 0.478 . . . . 34.47 111.759 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' A' ' 84' ' ' THR . 32.9 mt-10 -121.38 4.38 10.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 35.43 109.686 -178.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.04 15.42 72.42 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.586 -0.734 . . . . 31.32 112.913 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -88.76 138.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 32.2 110.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -96.02 114.99 26.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.858 -0.61 . . . . 28.83 110.96 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -127.03 157.45 39.57 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.646 -0.502 . . . . 30.27 109.646 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -123.32 159.9 27.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 28.69 110.66 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 49.0 t -129.31 125.87 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.396 . . . . 29.45 111.417 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.27 103.55 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.452 -1.314 . . . . 29.7 107.452 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -72.21 -14.14 61.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.513 0.597 . . . . 29.9 110.942 -175.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -76.98 -47.15 21.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.449 -0.341 . . . . 31.42 110.412 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.8 p -92.29 -16.87 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.591 0.234 . . . . 33.14 110.423 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 67.26 40.02 2.88 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.312 1.053 . . . . 35.9 109.862 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.0 p -113.99 156.75 23.49 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.467 -1.697 . . . . 32.79 110.438 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.8 p -106.33 126.8 52.69 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.801 -0.814 . . . . 32.98 108.801 176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 t -139.57 144.95 38.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.229 -0.588 . . . . 31.05 111.355 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.467 -0.938 . . . . 32.23 108.467 174.464 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.644 -0.873 . . . . 3.19 108.644 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mmm -110.01 138.18 46.75 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.754 -0.378 . . . . 2.57 110.194 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -80.47 116.37 20.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 1.99 110.634 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -102.63 146.87 27.54 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.717 -0.846 . . . . 1.38 108.717 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HD3' HG23 ' A' ' 54' ' ' THR . 56.6 tttm -117.11 140.84 49.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 3.1 111.084 -171.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 21.8 tp -124.48 144.57 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.736 -0.385 . . . . 1.12 110.285 174.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.4 mt -132.23 115.31 25.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.516 -0.766 . . . . 1.31 109.031 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.477 HD21 ' HE1' ' A' ' 36' ' ' TYR . 1.6 mm? -91.83 109.84 21.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.105 -0.702 . . . . 1.03 109.105 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -106.86 85.57 2.17 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.525 -0.917 . . . . 1.96 108.525 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.628 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -146.35 144.41 12.74 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.284 -0.871 . . . . 0.91 111.129 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 84.4 mttt -54.91 -25.37 28.74 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.857 0.863 . . . . 3.78 113.223 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 m -97.39 -40.52 8.67 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.29 -0.564 . . . . 2.46 110.549 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 15' ' ' LEU . 2.7 mm? -122.3 100.48 6.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.734 0.302 . . . . 2.37 111.456 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -113.68 116.88 30.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.521 -0.918 . . . . 3.04 108.521 173.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.55 -167.71 38.89 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.499 -0.857 . . . . 0.49 111.801 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -139.88 175.28 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.073 0.464 . . . . 1.69 110.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -170.26 157.6 6.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.254 -0.884 . . . . 1.15 109.561 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -130.49 160.67 33.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.357 -0.383 . . . . 1.09 110.968 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -151.94 149.25 28.72 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.807 -0.442 . . . . 1.07 109.807 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.77 109.34 21.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.336 -0.616 . . . . 2.26 109.336 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.18 162.77 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.874 -0.417 . . . . 1.13 109.874 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -95.22 -46.82 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 O-C-N 122.226 -0.296 . . . . 1.73 111.572 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -103.29 156.94 17.36 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 122.076 -0.39 . . . . 2.13 110.54 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -72.47 -42.43 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 1.32 110.576 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.53 76.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.022 -0.535 . . . . 1.21 110.751 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -70.62 -31.42 68.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 1.15 110.452 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.93 -33.09 63.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.729 -0.669 . . . . 1.09 110.235 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -63.25 -53.7 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.326 -0.62 . . . . 1.29 109.326 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -46.63 -43.92 17.9 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.627 -0.715 . . . . 2.94 112.759 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.38 -47.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.728 0.299 . . . . 1.1 111.067 -175.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.478 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 12.6 m-85 -71.82 -16.11 62.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 1.92 111.782 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -70.26 -40.11 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.146 -0.687 . . . . 1.69 109.146 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.511 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 1.6 tp60 -69.12 -41.86 76.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.353 -0.981 . . . . 2.5 108.353 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.478 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 71.2 t80 -58.47 -54.35 48.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.863 -1.517 . . . . 2.13 111.238 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.33 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.207 0.527 . . . . 1.06 110.254 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.04 -31.5 67.97 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.791 -0.64 . . . . 2.14 109.7 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.66 -38.62 91.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.292 -0.867 . . . . 1.78 110.972 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.07 -16.39 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 1.78 111.132 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.96 33.68 17.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.635 -0.793 . . . . 0.44 113.462 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -97.08 115.42 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.235 0.54 . . . . 1.12 110.296 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -126.52 133.54 51.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.327 -0.852 . . . . 1.86 109.484 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 178.32 -170.91 43.2 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.833 -0.907 . . . . 0.63 110.833 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -58.84 133.59 56.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.141 0.496 . . . . 2.79 110.591 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -102.92 102.59 12.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.86 -0.609 . . . . 0.41 109.942 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.508 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 6.4 p -97.7 156.7 16.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.212 -0.449 . . . . 1.25 111.148 -178.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 17.2 t80 -151.28 147.97 27.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.774 -0.825 . . . . 1.95 108.774 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.29 150.37 42.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.678 -0.86 . . . . 2.07 108.678 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.55 -14.07 41.24 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 121.14 -0.224 . . . . 2.28 111.383 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.65 -44.81 13.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.461 0.541 . . . . 1.42 112.461 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 p -116.51 -2.27 12.04 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.72 1.007 . . . . 1.95 113.72 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.574 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER 58.85 42.09 20.34 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.869 0.843 . . . . 2.56 110.1 -178.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.439 HG23 ' HD3' ' A' ' 7' ' ' LYS . 24.7 m -93.34 124.03 37.04 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.722 -1.126 . . . . 1.17 110.429 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 40.2 m-85 -100.48 129.7 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.89 -0.782 . . . . 1.98 108.89 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.508 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 99.3 m -129.07 131.59 47.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 1.44 111.466 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.6 p -115.02 116.73 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.744 -0.836 . . . . 1.15 108.744 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.47 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 9.6 m -110.84 134.11 52.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.856 -0.611 . . . . 1.14 111.405 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.418 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 13.1 mt-10 . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 109.71 -0.478 . . . . 2.56 109.71 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.517 HD13 ' HB2' ' A' ' 81' ' ' MET . 3.8 mm? . . . . . 0 C--O 1.235 0.328 0 N-CA-C 111.694 0.257 . . . . 23.39 111.694 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -68.74 158.03 59.43 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.377 2.051 . . . . 23.54 110.92 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -48.98 123.38 9.78 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.915 2.41 . . . . 25.03 113.021 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.78 -26.58 23.88 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.596 -0.811 . . . . 26.59 114.06 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -88.0 140.34 29.59 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.658 0.729 . . . . 27.13 111.571 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.614 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 63.2 mt-10 -120.49 139.63 52.61 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.757 -0.461 . . . . 26.95 109.757 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.517 ' HB2' HD13 ' A' ' 75' ' ' LEU . 47.9 ttm -115.32 120.59 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.938 -0.393 . . . . 25.77 109.938 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -145.33 152.75 40.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.495 -0.557 . . . . 28.73 109.495 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -113.5 151.92 30.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.308 -0.256 . . . . 29.77 110.308 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 p -83.61 174.35 10.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.786 -0.82 . . . . 32.42 108.786 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -73.99 4.74 5.0 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.12 0.785 . . . . 34.47 113.12 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.669 ' HG3' HG21 ' A' ' 88' ' ' VAL . 10.0 pt-20 -121.7 5.79 10.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 35.43 110.789 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.86 9.2 58.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.522 -0.847 . . . . 31.32 113.691 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.669 HG21 ' HG3' ' A' ' 86' ' ' GLU . 86.6 t -81.44 130.09 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 117.374 0.587 . . . . 32.2 109.857 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -91.66 121.0 32.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 28.83 110.441 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -127.74 154.34 45.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.612 -0.514 . . . . 30.27 109.612 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.455 ' HE1' ' HE3' ' A' ' 81' ' ' MET . 92.0 m-85 -116.19 155.13 28.83 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 120.889 0.376 . . . . 28.69 110.833 -178.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 37.1 t -132.87 127.88 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 29.45 111.243 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.41 109.49 20.39 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.572 -1.269 . . . . 29.7 107.572 174.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -74.32 -25.83 59.79 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.066 -0.396 . . . . 29.9 111.853 -172.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.44 ' OD1' HG21 ' A' ' 96' ' ' THR . 5.8 p30 -71.84 -46.81 56.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.52 0.2 . . . . 31.42 111.459 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.44 HG21 ' OD1' ' A' ' 95' ' ' ASN . 14.3 p -90.06 -12.71 37.68 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.175 -0.328 . . . . 33.14 110.783 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 57.7 62.94 1.95 Allowed 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 122.198 0.999 . . . . 35.9 110.466 -177.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.0 p -135.95 154.7 51.02 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 113.514 -1.676 . . . . 32.79 110.55 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 p -108.64 137.22 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.72 . . . . 32.98 109.057 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 133.71 20.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.125 -0.63 . . . . 31.05 111.635 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 . . . . . 0 N--CA 1.447 -0.576 0 CA-C-N 115.179 -0.919 . . . . 32.23 109.125 175.312 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 109.27 -0.641 . . . . 3.19 109.27 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -122.74 136.48 54.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.322 -0.251 . . . . 2.57 110.322 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.416 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 4.3 tp-100 -88.57 118.69 28.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.99 110.058 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.491 ' HE1' ' HH ' ' A' ' 48' ' ' TYR . 82.4 m-85 -114.86 149.74 36.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.727 -0.842 . . . . 1.38 108.727 177.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HG3' ' OG1' ' A' ' 54' ' ' THR . 10.3 pttt -123.65 161.85 24.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 3.1 111.257 178.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 15.5 tp -141.29 141.72 33.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.022 -0.99 . . . . 1.12 109.724 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.1 mt -121.37 112.36 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.648 -0.871 . . . . 1.31 108.648 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -83.71 102.01 11.96 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.379 -0.6 . . . . 1.03 109.379 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -97.4 82.36 3.11 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 108.224 -1.028 . . . . 1.96 108.224 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.69 121.92 2.14 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 109.959 -1.256 . . . . 0.91 109.959 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -58.8 -13.47 6.22 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.288 0.477 . . . . 3.78 112.288 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -80.98 -38.07 28.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.057 0.456 . . . . 2.46 110.308 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 15' ' ' LEU . 3.4 tm? -157.01 117.32 3.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.632 -0.877 . . . . 2.37 108.632 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.1 mppt? -111.6 141.37 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.915 0.388 . . . . 3.04 110.066 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.416 ' C ' ' HG3' ' A' ' 18' ' ' GLU . . . 178.89 -177.72 48.55 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.058 -0.591 . . . . 0.49 111.737 -176.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG3' ' C ' ' A' ' 17' ' ' GLY . 5.1 mt-10 -143.79 165.77 26.76 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.347 -0.612 . . . . 1.69 109.347 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.517 HG23 ' CE2' ' A' ' 36' ' ' TYR . 13.4 t -169.4 168.64 9.42 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.703 -0.399 . . . . 1.15 111.455 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.416 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 17.6 p -134.29 158.62 43.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.86 -0.609 . . . . 1.09 110.354 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -156.75 151.15 25.38 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.92 -0.4 . . . . 1.07 109.92 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 1.6 pm0 -92.12 130.54 37.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.597 -0.519 . . . . 2.26 109.597 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.0 158.7 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 1.13 109.544 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 m -103.91 6.63 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.306 . . . . 1.73 111.626 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -165.36 160.23 17.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.616 -0.513 . . . . 2.13 109.616 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.29 -46.59 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.355 -0.384 . . . . 1.32 111.386 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -25.05 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.094 0.473 . . . . 1.21 110.831 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -75.15 -27.75 59.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 1.15 110.694 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.24 -38.59 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 1.09 110.117 -177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.5 tt0 -55.07 -59.74 4.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.108 -0.951 . . . . 1.29 110.136 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -51.32 -38.65 54.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.374 -0.83 . . . . 2.94 112.257 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.9 t -75.73 -56.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.747 0.308 . . . . 1.1 111.058 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.43 ' HD1' ' HA ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -60.8 -24.98 66.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.283 -0.417 . . . . 1.92 112.041 -179.534 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.621 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 32.9 mtpt -70.22 -39.65 74.98 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.053 -0.404 . . . . 1.69 110.721 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.05 -31.04 67.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.772 -0.825 . . . . 2.5 108.772 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.517 ' CE2' HG23 ' A' ' 19' ' ' THR . 20.2 t80 -63.6 -52.83 59.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.881 -1.054 . . . . 2.13 109.954 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.8 79.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.37 -0.832 . . . . 1.06 110.3 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.61 -40.4 91.71 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.415 -0.812 . . . . 2.14 111.321 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.02 -27.77 69.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 1.78 111.024 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -95.18 -3.73 47.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 1.78 110.695 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.15 24.31 71.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.02 -0.609 . . . . 0.44 112.469 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.1 t -104.92 100.39 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-O 121.254 0.55 . . . . 1.12 110.531 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -133.75 134.85 43.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.543 -0.753 . . . . 1.86 109.527 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.68 -168.97 35.44 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.102 -0.799 . . . . 0.63 111.102 -175.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 141.1 55.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 2.79 110.93 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.621 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.2 m95 -113.5 125.36 54.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.305 0.574 . . . . 0.41 111.552 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.494 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.7 p -124.55 156.04 38.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.569 -0.741 . . . . 1.25 109.854 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.491 ' HH ' ' HE1' ' A' ' 6' ' ' TYR . 83.2 t80 -139.39 140.26 37.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.899 -0.32 . . . . 1.95 111.072 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.734 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.9 p30 -117.52 146.34 43.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.798 -0.816 . . . . 2.07 108.798 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.77 -28.28 16.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.524 0.678 . . . . 2.28 109.179 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.46 77.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.98 -1.009 . . . . 1.42 112.546 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.467 HG22 ' CB ' ' A' ' 54' ' ' THR . 15.0 t -130.95 17.21 5.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.92 -0.712 . . . . 1.95 112.292 -178.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 43.45 39.83 2.42 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.418 0.628 . . . . 2.56 110.407 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.734 ' HB ' ' OD1' ' A' ' 49' ' ' ASP . 83.8 m -107.09 125.26 50.83 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.429 -0.805 . . . . 1.17 112.351 -174.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 36.5 m-85 -89.72 130.1 36.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 1.98 109.136 176.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 9.1 m -119.82 117.01 27.04 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.837 -0.345 . . . . 1.44 110.624 -179.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.1 p -105.57 127.54 60.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.679 -1.23 . . . . 1.15 107.679 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -121.87 115.21 22.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.966 -0.561 . . . . 1.14 111.62 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 114.901 -1.045 . . . . 2.56 110.925 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.235 0.314 0 N-CA-C 109.817 -0.438 . . . . 23.39 109.817 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.601 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 14.4 Cg_exo -75.07 159.97 40.49 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.126 1.884 . . . . 23.54 110.523 177.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -62.58 129.06 25.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 121.878 1.719 . . . . 25.03 110.974 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.24 -27.55 19.53 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.667 -0.778 . . . . 26.59 113.044 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.601 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 74.4 m95 -90.69 142.05 28.15 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 117.303 0.551 . . . . 27.13 110.987 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.606 ' HB2' ' CE1' ' A' ' 94' ' ' HIS . 10.4 tp10 -123.56 146.37 48.17 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.85 -0.426 . . . . 26.95 109.85 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.586 ' HE1' ' HD2' ' A' ' 89' ' ' ARG . 15.9 ttt -129.1 128.08 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 25.77 110.387 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -149.98 160.2 43.8 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.173 -0.677 . . . . 28.73 109.173 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -106.43 150.79 25.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.723 0.297 . . . . 29.77 111.303 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.2 p -86.53 -173.7 4.64 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.391 -0.596 . . . . 32.42 109.391 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -85.53 10.95 11.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.944 0.402 . . . . 34.47 111.835 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -120.67 0.18 10.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.177 -0.465 . . . . 35.43 109.776 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.68 18.58 54.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.986 -0.626 . . . . 31.32 112.762 -178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.1 t -95.77 130.6 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.032 0.444 . . . . 32.2 111.323 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.586 ' HD2' ' HE1' ' A' ' 81' ' ' MET . 52.7 ttt180 -79.76 116.57 20.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.65 -0.704 . . . . 28.83 110.806 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -121.49 158.7 27.86 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.487 -0.56 . . . . 30.27 109.487 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.583 ' HE1' ' HE ' ' A' ' 89' ' ' ARG . 22.7 m-30 -115.56 155.87 26.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.212 0.529 . . . . 28.69 111.343 -176.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 9.6 t -125.95 104.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.604 -0.725 . . . . 29.45 109.535 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -75.93 122.37 24.06 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.871 -1.159 . . . . 29.7 107.871 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.606 ' CE1' ' HB2' ' A' ' 80' ' ' GLU . 35.1 m80 -81.55 -22.33 37.91 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.509 0.929 . . . . 29.9 113.509 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -79.91 -29.83 39.93 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.247 -0.581 . . . . 31.42 111.229 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.3 p -99.56 -26.96 13.92 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.91 -0.404 . . . . 33.14 109.91 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 67.02 44.09 2.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 122.543 1.163 . . . . 35.9 110.021 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.46 146.47 46.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 112.644 -2.071 . . . . 32.79 109.474 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 p -83.36 112.37 19.85 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.475 -0.565 . . . . 32.98 109.475 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 m -105.16 152.56 22.66 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.973 0.416 . . . . 31.05 110.857 -175.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.44 -0.942 0 CA-C-O 121.74 0.781 . . . . 32.23 111.182 175.278 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 112.62 -0.192 . . . . 5.35 112.62 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -80.89 -19.71 43.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.129 0.49 . . . . 2.67 110.858 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.448 ' HD2' HG12 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -83.44 134.46 34.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 3.19 110.382 178.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.405 ' HG3' ' CE2' ' A' ' 6' ' ' TYR . 20.3 ptp -119.33 140.58 50.08 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 110.098 -0.334 . . . . 2.57 110.098 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -76.61 144.01 39.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.089 0.471 . . . . 1.99 111.984 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.405 ' CE2' ' HG3' ' A' ' 4' ' ' MET . 38.0 m-85 -135.02 142.3 46.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.254 -0.885 . . . . 1.38 109.076 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -106.2 164.4 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.394 0.616 . . . . 3.1 111.465 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.425 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 25.3 tp -146.07 140.02 26.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.763 -1.108 . . . . 1.12 109.868 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.422 HG22 ' OD1' ' A' ' 11' ' ' ASN . 81.1 mt -127.61 120.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.465 -0.939 . . . . 1.31 108.465 176.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.447 HD21 ' HE2' ' A' ' 36' ' ' TYR . 1.1 mm? -95.92 94.73 7.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.518 -0.549 . . . . 1.03 109.518 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' OD1' HG22 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -87.25 87.8 7.53 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.509 -0.922 . . . . 1.96 108.509 178.638 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.85 -174.26 14.64 Favored Glycine 0 C--N 1.314 -0.645 0 C-N-CA 120.37 -0.919 . . . . 0.91 111.746 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -95.64 -55.9 2.87 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.795 -0.362 . . . . 3.78 111.768 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 t -99.36 6.92 45.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.369 -0.832 . . . . 2.46 110.009 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.55 101.66 4.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.169 -0.923 . . . . 2.37 109.078 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.508 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 22.8 mtmt -135.32 130.6 35.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.355 -0.384 . . . . 3.04 110.0 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.58 178.36 47.12 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.229 -0.748 . . . . 0.49 111.229 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -136.54 158.52 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.236 -0.653 . . . . 1.69 109.236 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 t -156.82 173.4 17.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.563 0.22 . . . . 1.15 110.477 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 p -141.41 148.01 38.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.338 -0.392 . . . . 1.09 110.62 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.6 t -141.82 157.93 44.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.979 -0.378 . . . . 1.07 109.979 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.61 130.24 56.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.992 -0.549 . . . . 2.26 110.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.26 166.97 31.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.973 -0.38 . . . . 1.13 109.973 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.448 HG12 ' HD2' ' A' ' 3' ' ' HIS . 17.6 m -103.61 -2.47 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.001 0.371 . . . . 1.73 112.001 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -132.13 156.46 46.34 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.49 -0.559 . . . . 2.13 109.49 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.6 23.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.838 -0.431 . . . . 1.32 109.838 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.34 90.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 1.21 110.991 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 m -67.78 -32.07 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 1.15 110.635 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.25 73.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.776 0.798 . . . . 1.09 109.148 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.26 -62.75 1.36 Allowed 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.386 -1.279 . . . . 1.29 109.439 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -50.59 -42.94 56.43 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.859 -1.064 . . . . 2.94 113.452 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.36 -44.49 90.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.035 0.445 . . . . 1.1 111.181 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.411 ' CG ' HD21 ' A' ' 8' ' ' LEU . 1.5 m-85 -73.18 -21.77 60.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.366 -0.379 . . . . 1.92 111.86 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -68.37 -40.99 81.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.266 -0.642 . . . . 1.69 109.266 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 2.5 109.167 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.447 ' HE2' HD21 ' A' ' 10' ' ' LEU . 48.7 t80 -69.32 -50.41 46.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.797 . . . . 2.13 110.197 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.21 75.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.737 -0.665 . . . . 1.06 110.33 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -52.09 -51.81 55.34 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.259 -0.882 . . . . 2.14 111.743 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.15 -5.05 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.136 -0.484 . . . . 1.78 111.876 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -108.73 3.3 22.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.102 0.477 . . . . 1.78 110.369 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.39 23.96 76.25 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.655 -0.702 . . . . 0.44 112.948 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.32 118.34 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-O 121.364 0.602 . . . . 1.12 111.701 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -147.49 142.4 26.9 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.294 -1.373 . . . . 1.86 107.294 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -172.03 -170.99 36.58 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.171 -1.014 . . . . 0.63 111.785 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.85 104.15 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.593 . . . . 2.79 109.4 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -75.49 100.66 4.59 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.805 -0.634 . . . . 0.41 111.262 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.411 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 8.6 p -100.04 155.66 17.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.316 -0.856 . . . . 1.25 110.437 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -149.31 144.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.827 -0.349 . . . . 1.95 110.918 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -123.88 131.24 53.55 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 107.984 -1.117 . . . . 2.07 107.984 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -81.25 -15.19 56.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 122.31 -0.244 . . . . 2.28 111.427 -173.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.22 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.839 -0.344 . . . . 1.42 111.906 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.1 p -115.1 -3.68 12.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.832 1.049 . . . . 1.95 113.832 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.54 37.8 19.34 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.489 0.661 . . . . 2.56 110.229 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.9 m -102.17 111.68 24.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.407 -0.815 . . . . 1.17 111.6 -176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 23.7 m-85 -85.21 125.04 32.54 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.311 -0.996 . . . . 1.98 108.311 174.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.411 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 26.5 m -117.45 119.54 35.39 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.874 0.369 . . . . 1.44 110.938 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -113.45 106.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.744 0.783 . . . . 1.15 109.252 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.417 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 1.2 m -99.55 125.74 45.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.428 -0.805 . . . . 1.14 110.345 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -78.15 90.29 4.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.944 -0.571 . . . . 2.56 109.971 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 139.43 173.07 12.94 Favored Glycine 0 C--N 1.332 0.315 0 N-CA-C 111.226 -0.75 . . . . 2.32 111.226 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -124.26 -29.76 3.52 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.724 0.297 . . . . 4.8 110.216 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.26 -177.16 35.97 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.719 -0.753 . . . . 4.49 111.972 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -121.97 -23.53 2.46 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.133 -0.556 . . . . 6.24 111.844 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 67.94 -176.15 0.2 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.078 0.551 . . . . 6.72 111.654 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.99 137.66 46.04 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.722 -0.672 . . . . 8.41 112.56 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.43 -17.76 59.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.721 . . . . 10.44 112.801 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -146.83 140.33 25.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.925 0.393 . . . . 12.73 110.044 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.09 46.1 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.078 -0.809 . . . . 11.72 111.078 -178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.6 mmt -81.49 71.48 8.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.527 0.203 . . . . 14.76 111.454 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt 51.6 83.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 115.333 -0.849 . . . . 14.51 111.779 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -128.27 18.64 6.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.59 0.71 . . . . 16.8 110.139 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -110.91 158.67 35.09 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.436 -0.802 . . . . 17.64 110.762 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.67 -176.42 2.78 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.95 2.434 . . . . 20.73 113.095 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 70.01 177.91 0.26 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.608 -1.178 . . . . 20.94 111.39 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.5 mm? -95.88 134.5 23.86 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.285 -0.416 . . . . 23.39 110.843 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.783 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 37.6 Cg_endo -77.0 157.14 34.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.447 2.098 . . . . 23.54 111.258 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -45.97 130.93 13.56 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.03 2.487 . . . . 25.03 113.172 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.67 4.05 90.46 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 115.146 0.818 . . . . 26.59 115.146 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.783 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 59.5 m95 -107.3 142.72 36.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.78 1.29 . . . . 27.13 111.265 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.604 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 50.3 mt-10 -127.43 132.42 50.08 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.599 -0.519 . . . . 26.95 109.599 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 60.6 ttp -112.33 106.72 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.187 -1.042 . . . . 25.77 108.187 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -133.97 156.99 47.19 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.198 -0.667 . . . . 28.73 109.198 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -112.87 152.5 29.19 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.344 -0.243 . . . . 29.77 110.344 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -79.61 174.16 11.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.514 -0.921 . . . . 32.42 108.514 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 p -73.66 9.56 1.39 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.578 0.585 . . . . 34.47 112.578 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -120.81 0.8 10.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 35.43 109.714 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.84 12.81 60.1 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.599 -0.81 . . . . 31.32 113.438 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.5 t -81.69 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.621 -0.511 . . . . 32.2 109.621 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -91.01 123.63 34.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 28.83 111.535 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -135.58 155.61 50.19 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.885 -0.413 . . . . 30.27 109.885 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -116.27 157.64 24.62 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.949 0.404 . . . . 28.69 110.339 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.604 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 43.9 t -125.06 112.7 32.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.256 -0.429 . . . . 29.45 110.91 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.03 89.33 2.99 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.051 -1.092 . . . . 29.7 108.051 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.7 -11.47 60.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.026 0.441 . . . . 29.9 110.746 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -72.49 -37.28 68.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 31.42 110.286 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 p -112.57 -6.84 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.383 0.611 . . . . 33.14 110.536 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 60.4 73.46 0.48 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 114.817 -1.083 . . . . 35.9 111.139 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -155.54 165.83 35.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.82 -1.536 . . . . 32.79 109.264 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 p -103.51 142.47 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.949 -0.389 . . . . 32.98 109.949 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -146.85 139.74 25.22 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 110.175 -0.305 . . . . 31.05 110.175 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -95.51 99.29 11.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.983 -0.377 . . . . 32.23 109.983 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -118.48 93.79 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.867 0.365 . . . . 28.42 111.011 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -120.74 143.41 36.44 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.39 -0.596 . . . . 27.97 109.39 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -64.31 -13.51 38.58 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.507 2.138 . . . . 26.03 112.766 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -101.99 109.09 59.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.549 -0.537 . . . . 27.8 109.549 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.74 131.12 13.14 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.437 1.424 . . . . 29.23 111.131 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.49 -6.96 9.48 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.691 -0.766 . . . . 30.74 113.256 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.1 t80 68.04 31.84 5.3 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.171 -0.677 . . . . 30.1 109.171 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--O 1.246 0.873 0 CA-C-N 114.036 -1.438 . . . . 32.01 112.383 178.739 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 112.095 -0.402 . . . . 5.35 112.095 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 p -146.91 101.32 3.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.912 0.356 . . . . 2.67 110.932 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.09 166.09 11.42 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.801 -0.814 . . . . 3.19 108.801 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.644 ' HG3' ' HE2' ' A' ' 6' ' ' TYR . 18.0 ptp -120.75 132.1 54.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.682 -0.858 . . . . 2.57 108.682 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -92.69 132.85 36.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.169 0.509 . . . . 1.99 111.549 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.644 ' HE2' ' HG3' ' A' ' 4' ' ' MET . 70.6 m-85 -123.54 151.04 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 1.38 109.289 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HB3' HG22 ' A' ' 20' ' ' THR . 14.6 ptmt -123.29 148.49 45.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.128 0.489 . . . . 3.1 110.22 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.7 tp -130.18 131.64 45.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.233 -0.894 . . . . 1.12 110.051 -178.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.61 125.87 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.143 -0.688 . . . . 1.31 109.143 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -95.64 100.58 12.29 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 109.355 -0.609 . . . . 1.03 109.355 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -94.54 86.36 4.79 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.418 -0.956 . . . . 1.96 108.418 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.575 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.73 136.65 5.7 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.038 -0.825 . . . . 0.91 111.038 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -58.63 -19.67 41.03 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.247 0.462 . . . . 3.78 112.247 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -94.86 -15.26 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 2.46 111.573 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.24 101.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 2.37 110.297 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 16.2 mttm -113.83 118.04 33.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.175 -0.466 . . . . 3.04 110.469 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.76 -166.49 37.81 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.886 -0.885 . . . . 0.49 110.886 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -162.66 150.37 13.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.93 0.395 . . . . 1.69 110.285 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -147.93 178.45 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.755 -0.657 . . . . 1.15 110.62 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.524 HG22 ' HB3' ' A' ' 7' ' ' LYS . 40.0 p -133.49 156.62 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.585 -0.279 . . . . 1.09 111.539 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -149.8 156.28 41.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.028 -0.533 . . . . 1.07 109.581 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -103.11 135.86 43.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.337 -0.616 . . . . 2.26 109.337 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 4' ' ' MET . . . -146.34 162.57 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.323 -0.621 . . . . 1.13 109.323 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.64 8.44 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.106 -0.371 . . . . 1.73 111.033 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -152.96 159.62 42.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 2.13 110.237 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.03 -42.73 25.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.232 -0.44 . . . . 1.32 111.904 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.06 -32.74 63.43 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.613 0.721 . . . . 1.21 110.292 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.0 m -64.31 -27.13 68.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.985 -1.007 . . . . 1.15 110.513 177.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.7 67.04 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.117 -0.698 . . . . 1.09 109.117 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 10.1 tt0 -62.41 -59.0 5.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.974 -1.012 . . . . 1.29 109.555 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -49.74 -42.8 47.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.862 -1.063 . . . . 2.94 113.231 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.37 -45.79 73.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.838 0.351 . . . . 1.1 111.184 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 2.4 m-85 -70.86 -21.34 62.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.741 0.275 . . . . 1.92 111.741 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.539 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 29.1 mtpt -69.76 -43.61 71.87 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.97 -0.381 . . . . 1.69 109.97 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -68.78 -27.51 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.862 -0.792 . . . . 2.5 108.862 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 35.2 t80 -69.85 -52.57 23.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.769 -1.105 . . . . 2.13 110.254 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.74 72.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 1.06 110.678 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -67.66 -26.89 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 2.14 109.681 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.88 -30.93 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.782 -0.645 . . . . 1.78 110.738 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -101.28 2.79 40.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.006 0.432 . . . . 1.78 110.433 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.43 60.63 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.44 114.495 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -102.5 112.4 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 117.852 0.826 . . . . 1.12 110.969 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -132.44 109.63 9.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.746 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.64 -168.62 16.27 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.122 -0.561 . . . . 0.63 111.923 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.54 139.68 37.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.303 -0.258 . . . . 2.79 110.303 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.539 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.3 m95 -113.72 99.14 7.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.41 110.771 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 p -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.68 -0.691 . . . . 1.25 109.873 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -153.7 151.24 29.42 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.757 -0.377 . . . . 1.95 111.524 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.99 132.98 38.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 107.677 -1.231 . . . . 2.07 107.677 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.95 -23.1 22.76 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.058 -0.657 . . . . 2.28 111.709 -170.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.81 -25.78 63.01 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.994 -0.282 . . . . 1.42 111.026 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.4 p -116.87 -0.04 12.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.825 0.676 . . . . 1.95 112.825 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 48.94 36.87 9.06 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.109 0.48 . . . . 2.56 111.692 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 m -104.4 115.98 31.32 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.378 0.51 . . . . 1.17 112.378 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.446 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 28.1 m-85 -84.92 133.82 34.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.742 -1.207 . . . . 1.98 107.742 171.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.26 118.48 29.66 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.62 -0.432 . . . . 1.44 111.369 -177.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.33 109.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.347 -0.982 . . . . 1.15 108.347 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.6 m -111.64 129.57 56.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.429 -0.805 . . . . 1.14 110.929 -175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.35 95.7 7.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.516 -0.766 . . . . 2.56 109.214 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.69 106.42 2.82 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 119.714 -1.231 . . . . 2.32 111.675 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 p -128.65 9.83 6.01 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.867 0.365 . . . . 4.8 110.36 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.25 -10.46 50.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.741 -0.742 . . . . 4.49 112.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.83 -11.77 83.35 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.273 -0.489 . . . . 6.24 113.078 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.68 158.88 42.95 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.886 -0.413 . . . . 6.72 109.886 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.49 -78.08 0.22 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.532 -0.842 . . . . 8.41 112.353 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.426 ' O ' ' HB3' ' A' ' 67' ' ' GLN . . . -68.32 -27.31 73.81 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.72 -0.752 . . . . 10.44 112.937 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.426 ' HB3' ' O ' ' A' ' 66' ' ' GLY . 49.5 tt0 73.55 -73.15 0.1 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.289 0.636 . . . . 12.73 111.414 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.4 -166.62 34.44 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.348 -0.701 . . . . 11.72 111.348 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 48.3 mtm 60.51 -160.65 0.29 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.876 -0.416 . . . . 14.76 109.876 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 tp 89.09 4.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 123.753 0.658 . . . . 14.51 110.471 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -99.33 12.48 36.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.19 -0.914 . . . . 16.8 110.098 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -98.06 152.42 38.03 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.316 -0.856 . . . . 17.64 109.468 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -80.08 156.41 23.17 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.211 1.941 . . . . 20.73 110.869 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.3 176.7 9.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.256 -0.429 . . . . 20.94 110.302 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.54 147.92 82.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.716 -0.476 . . . . 23.39 109.716 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.565 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.9 Cg_exo -71.22 160.55 48.62 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 121.833 1.689 . . . . 23.54 110.431 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -60.8 129.69 30.08 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.85 1.7 . . . . 25.03 110.987 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.54 61.28 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 120.468 -0.872 . . . . 26.59 113.94 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.565 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.4 m95 -96.44 126.72 41.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 117.859 0.83 . . . . 27.13 111.306 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.606 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 39.8 mt-10 -111.59 149.75 31.03 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.495 -0.557 . . . . 26.95 109.495 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -126.27 117.71 23.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.316 -0.624 . . . . 25.77 109.316 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -143.38 157.49 44.42 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 110.067 -0.345 . . . . 28.73 110.067 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.53 159.69 17.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.872 0.367 . . . . 29.77 111.519 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.5 p -89.84 -168.38 2.12 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.775 -0.824 . . . . 32.42 108.775 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 p -90.46 10.87 23.52 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.878 -0.514 . . . . 34.47 112.056 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -120.23 0.43 10.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.474 0.654 . . . . 35.43 109.589 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.95 2.17 69.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.483 -0.865 . . . . 31.32 111.913 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.46 131.05 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 32.2 109.75 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -97.57 121.4 39.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.012 -0.54 . . . . 28.83 110.601 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.84 153.3 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.713 -0.847 . . . . 30.27 108.713 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -117.23 146.14 43.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.339 -0.544 . . . . 28.69 109.599 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.606 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.9 t -110.97 104.04 16.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.254 -0.43 . . . . 29.45 110.977 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.64 85.58 1.18 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.454 -1.313 . . . . 29.7 107.454 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -72.52 -2.58 20.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.853 0.359 . . . . 29.9 111.349 -174.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -75.01 -27.12 59.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.619 -0.512 . . . . 31.42 109.619 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 p -119.81 -6.64 10.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.102 0.477 . . . . 33.14 109.897 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 65.3 31.67 10.4 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.116 -0.947 . . . . 35.9 110.908 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -106.54 153.2 22.67 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.634 -1.166 . . . . 32.79 110.572 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.1 p -94.88 121.04 36.07 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.487 -0.931 . . . . 32.98 108.487 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.458 HG21 ' NZ ' ' A' ' 102' ' ' LYS . 5.0 t -124.42 157.97 33.87 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.096 0.474 . . . . 31.05 110.796 -175.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -115.16 97.74 6.38 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.968 -0.753 . . . . 32.23 108.968 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' HE3' ' HH2' ' A' ' 79' ' ' TRP . 27.3 mtmm -135.76 105.7 6.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.869 -0.605 . . . . 28.42 110.153 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 5.9 p-10 -82.84 127.35 70.16 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.085 -0.507 . . . . 27.97 110.551 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.445 ' HD2' ' HE1' ' A' ' 108' ' ' PHE . 7.7 Cg_exo -71.36 -28.23 18.43 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.339 2.026 . . . . 26.03 110.486 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -109.14 121.75 41.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.578 -0.897 . . . . 27.8 108.578 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.65 118.58 5.55 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 121.756 1.637 . . . . 29.23 113.032 -172.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.11 -34.95 2.98 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-N 115.952 -0.567 . . . . 30.74 113.336 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.445 ' HE1' ' HD2' ' A' ' 104' ' ' PRO . 0.8 OUTLIER 57.41 20.04 5.65 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 117.053 0.426 . . . . 30.1 111.881 -178.028 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--O 1.248 0.993 0 O-C-N 123.681 0.613 . . . . 32.01 110.985 179.393 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.718 -0.553 . . . . 5.35 111.718 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -75.7 153.04 37.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.746 0.308 . . . . 2.67 111.094 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -67.91 100.12 0.92 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 3.19 111.197 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.1 ptm -103.63 136.58 43.08 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.084 -0.71 . . . . 2.57 109.084 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.32 140.01 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.014 0.435 . . . . 1.99 111.895 -176.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -122.41 160.6 25.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.546 -0.752 . . . . 1.38 110.366 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.939 ' HD2' HG22 ' A' ' 54' ' ' THR . 5.4 tmtm? -123.56 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.66 -0.7 . . . . 3.1 110.424 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.61 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 17.2 tp -134.2 144.47 48.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.944 0.402 . . . . 1.12 111.352 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.633 HG12 ' HG2' ' A' ' 18' ' ' GLU . 88.6 mt -129.38 127.47 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.296 -0.866 . . . . 1.31 109.118 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.81 102.98 14.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.622 -0.511 . . . . 1.03 109.622 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.409 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 8.8 m120 -96.22 86.42 4.23 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.021 -0.733 . . . . 1.96 109.021 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.536 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -153.92 135.53 4.82 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.169 -0.772 . . . . 0.91 111.169 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -55.05 -21.44 12.41 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.393 0.516 . . . . 3.78 112.393 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 p -78.68 -52.75 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.77 0.319 . . . . 2.46 110.592 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 15' ' ' LEU . 1.6 mm? -134.48 104.65 6.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 2.37 111.269 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.9 OUTLIER -105.86 121.42 44.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.484 -0.561 . . . . 3.04 109.484 175.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.06 -173.94 46.05 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.336 -0.705 . . . . 0.49 111.336 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.633 ' HG2' HG12 ' A' ' 9' ' ' ILE . 36.1 mt-10 -139.02 164.89 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.827 0.346 . . . . 1.69 111.227 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -163.96 172.84 13.37 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.952 -0.567 . . . . 1.15 110.539 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p -140.71 155.57 46.43 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.667 0.387 . . . . 1.09 110.001 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -152.71 157.5 40.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.266 -0.272 . . . . 1.07 110.266 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.09 141.34 28.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 2.26 109.73 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.58 147.29 35.64 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.884 -0.326 . . . . 1.13 110.373 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -101.2 7.3 9.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.786 0.327 . . . . 1.73 110.944 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -164.25 159.12 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.449 -0.945 . . . . 2.13 108.449 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.9 67.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.652 0.263 . . . . 1.32 111.469 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.02 73.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 1.21 111.021 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 32' ' ' VAL . 2.5 m -69.34 -29.26 67.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.67 . . . . 1.15 111.157 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.52 74.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.09 110.685 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.2 tt0 -65.93 -55.2 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.58 -0.736 . . . . 1.29 109.792 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -51.45 -43.16 61.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.042 0.756 . . . . 2.94 113.042 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 28' ' ' THR . 83.9 t -69.08 -51.55 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 1.1 111.254 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.529 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.4 m-30 -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.402 -0.363 . . . . 1.92 111.979 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.651 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 25.0 mtpp -72.61 -40.12 66.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.125 -0.324 . . . . 1.69 110.125 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -70.57 -32.03 69.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.861 -0.792 . . . . 2.5 108.861 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.529 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 24.2 t80 -65.98 -51.38 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.912 -1.04 . . . . 2.13 110.162 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 42' ' ' VAL . . . -67.27 -30.04 69.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.355 -0.839 . . . . 1.06 110.088 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.48 -39.25 92.84 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.467 -0.788 . . . . 2.14 110.685 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.88 -26.41 67.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.375 -0.375 . . . . 1.78 111.562 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -102.79 6.39 39.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.929 0.395 . . . . 1.78 110.328 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.24 20.34 67.2 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.614 -0.721 . . . . 0.44 113.065 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.448 ' O ' ' HB3' ' A' ' 37' ' ' ALA . 91.4 t -102.64 105.86 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 121.425 0.631 . . . . 1.12 111.146 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -143.55 140.58 30.31 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.29 -1.004 . . . . 1.86 108.29 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -169.91 -169.58 33.29 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.898 -0.881 . . . . 0.63 110.898 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.74 111.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.043 0.449 . . . . 2.79 110.764 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.651 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.5 m95 -82.06 105.83 13.48 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.706 -0.679 . . . . 0.41 111.21 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.95 157.04 17.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 1.25 109.628 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 79.0 t80 -146.72 147.09 30.6 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.334 -0.229 . . . . 1.95 111.223 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.6 142.27 47.79 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.864 -0.791 . . . . 2.07 108.864 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.61 -36.47 44.14 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 111.67 0.248 . . . . 2.28 111.67 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -26.6 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.582 0.586 . . . . 1.42 112.582 -175.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -109.68 -15.48 14.14 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.865 1.061 . . . . 1.95 113.865 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.451 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 13.5 mptt 60.04 24.32 13.52 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-O 121.85 0.833 . . . . 2.56 109.816 -177.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.939 HG22 ' HD2' ' A' ' 7' ' ' LYS . 39.4 m -89.21 114.9 26.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.733 -1.121 . . . . 1.17 112.047 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.532 ' O ' HD13 ' A' ' 8' ' ' LEU . 84.7 m-85 -83.7 120.89 26.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.144 -1.058 . . . . 1.98 108.144 171.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 m -111.31 118.16 35.11 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.839 0.352 . . . . 1.44 110.206 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.7 p -110.13 113.05 43.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.773 -0.825 . . . . 1.15 108.773 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.487 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 5.7 m -110.04 131.14 55.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.442 -0.799 . . . . 1.14 111.398 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.56 153.22 40.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.524 -0.547 . . . . 2.56 109.524 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -150.33 -164.54 11.95 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.487 -0.863 . . . . 2.32 111.616 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.3 m 62.84 -163.56 0.27 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.474 0.31 . . . . 4.8 110.634 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.31 -146.39 17.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.711 -0.757 . . . . 4.49 111.751 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.8 -11.16 62.5 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.97 -0.633 . . . . 6.24 112.6 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 73.87 -56.77 0.64 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.041 0.936 . . . . 6.72 111.914 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.34 88.97 1.15 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.86 -0.686 . . . . 8.41 111.886 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.14 3.02 82.2 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.609 -0.805 . . . . 10.44 112.248 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -142.26 125.87 16.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.608 0.242 . . . . 12.73 110.587 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.97 -68.04 1.18 Allowed Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 110.926 -0.87 . . . . 11.72 110.926 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 25.7 mmt 60.42 12.04 3.27 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.915 0.709 . . . . 14.76 112.915 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.2 mm -131.17 82.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.002 -0.74 . . . . 14.51 109.002 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -112.5 20.85 16.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 16.8 110.758 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.16 148.0 98.62 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.607 -0.724 . . . . 17.64 109.935 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -75.48 177.76 8.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.758 2.306 . . . . 20.73 114.738 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 78.18 101.26 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.093 -1.412 . . . . 20.94 114.011 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.13 147.17 33.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.916 -1.142 . . . . 23.39 107.916 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.776 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 61.1 Cg_endo -74.51 143.97 31.55 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.289 1.326 . . . . 23.54 110.31 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -41.43 129.79 3.52 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 25.03 113.761 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.13 -15.97 59.8 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.647 -0.787 . . . . 26.59 114.504 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.776 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 72.9 m95 -94.04 147.27 23.29 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.084 0.942 . . . . 27.13 111.379 -177.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.616 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 15.5 tp10 -130.63 145.43 51.9 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.085 -0.709 . . . . 26.95 109.085 177.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -125.42 128.73 48.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.704 -0.225 . . . . 25.77 110.427 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -149.46 153.81 37.87 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.432 -0.581 . . . . 28.73 109.432 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.84 158.5 17.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.075 -0.342 . . . . 29.77 110.075 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.5 p -96.93 174.3 6.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.645 -0.872 . . . . 32.42 108.645 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 p -77.4 8.52 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.403 0.519 . . . . 34.47 112.403 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -119.43 5.27 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 35.43 110.579 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.48 83.3 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.659 -0.782 . . . . 31.32 112.262 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.45 146.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.691 -0.485 . . . . 32.2 109.691 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.39 128.18 55.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.47 -0.332 . . . . 28.83 110.642 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -127.76 155.94 43.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.457 -0.571 . . . . 30.27 109.457 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -117.6 153.61 32.96 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.065 0.459 . . . . 28.69 110.647 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.616 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 43.2 t -127.11 112.96 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 29.45 110.907 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.2 94.44 5.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 29.7 109.178 177.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -74.42 -4.54 37.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.216 0.462 . . . . 29.9 111.275 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.34 -30.77 54.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.076 -0.511 . . . . 31.42 109.867 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 p -115.4 -10.33 12.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.122 -0.49 . . . . 33.14 110.535 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 66.01 42.27 3.36 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.045 0.926 . . . . 35.9 110.006 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -122.23 168.54 11.89 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.272 -1.786 . . . . 32.79 109.984 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -113.56 138.01 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.642 . . . . 32.98 109.265 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 t -143.77 149.52 37.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.302 0.572 . . . . 31.05 111.272 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -103.77 99.89 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.763 -0.653 . . . . 32.23 109.435 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -115.12 145.71 42.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.029 -0.532 . . . . 28.42 109.984 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 16.6 p-10 -78.84 131.75 66.34 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-N 116.048 -0.523 . . . . 27.97 110.417 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 6.2 Cg_exo -77.44 -37.83 0.88 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.46 2.107 . . . . 26.03 110.395 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -111.97 109.56 54.81 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.56 -0.745 . . . . 27.8 109.22 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HA ' ' OD1' ' A' ' 103' ' ' ASP . 81.3 Cg_exo -50.2 130.48 28.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.971 1.781 . . . . 29.23 112.165 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 77.59 12.94 84.02 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 120.374 -0.917 . . . . 30.74 114.612 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -108.06 152.18 24.85 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.361 1.081 . . . . 30.1 109.867 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.19 -0.91 . . . . 32.01 109.415 -179.826 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.114 -0.395 . . . . 5.35 112.114 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.62 ' O ' HG12 ' A' ' 24' ' ' VAL . 27.1 m -75.07 81.94 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.089 0.471 . . . . 2.67 110.806 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.7 146.78 46.09 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.726 -0.67 . . . . 3.19 109.943 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.417 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 25.1 mmt -122.33 135.47 54.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.274 -1.01 . . . . 2.57 108.274 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -85.22 99.19 10.94 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.648 -0.421 . . . . 1.99 110.288 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.417 ' CE2' ' HB2' ' A' ' 4' ' ' MET . 96.1 m-85 -91.75 135.74 33.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.05 -0.722 . . . . 1.38 109.05 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HG3' ' HG1' ' A' ' 54' ' ' THR . 4.5 ptpp? -119.73 148.7 43.08 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.082 -0.508 . . . . 3.1 110.322 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.0 tp -128.19 140.63 51.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 1.12 110.055 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.498 HG12 ' HG2' ' A' ' 18' ' ' GLU . 89.4 mt -120.77 121.92 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 108.634 -0.876 . . . . 1.31 108.634 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -90.07 94.76 9.91 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.443 -0.577 . . . . 1.03 109.443 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.55 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -86.67 84.26 7.43 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.164 -1.05 . . . . 1.96 108.164 179.172 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -135.12 130.25 5.38 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.299 -0.953 . . . . 0.91 111.537 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -50.53 -30.92 14.16 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.655 0.782 . . . . 3.78 112.922 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -81.34 -41.64 21.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.716 -0.393 . . . . 2.46 111.181 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.739 HD12 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -145.1 126.1 14.53 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 121.244 0.545 . . . . 2.37 109.638 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -121.15 135.53 55.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.613 -0.721 . . . . 3.04 109.067 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.24 -171.25 43.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 0.49 112.372 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.498 ' HG2' HG12 ' A' ' 9' ' ' ILE . 22.8 mt-10 -130.12 171.33 12.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.69 111.272 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.519 HG21 ' CE1' ' A' ' 36' ' ' TYR . 15.0 t -168.28 155.29 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.052 -0.976 . . . . 1.15 108.813 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.1 p -132.8 159.23 40.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.891 0.377 . . . . 1.09 111.421 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -159.91 155.86 26.31 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.096 -0.705 . . . . 1.07 109.096 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.72 130.04 48.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.863 0.363 . . . . 2.26 110.224 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.94 157.26 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.83 -0.433 . . . . 1.13 109.83 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 2' ' ' SER . 33.7 m -94.68 -1.36 10.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 1.73 111.602 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -154.46 157.69 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.505 -0.316 . . . . 2.13 110.439 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -77.61 -42.82 33.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.828 -0.624 . . . . 1.32 111.466 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.448 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -67.68 -30.26 69.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.406 0.622 . . . . 1.21 110.117 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 m -73.08 -28.43 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.954 -1.021 . . . . 1.15 110.702 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.17 60.86 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.208 -0.664 . . . . 1.09 109.208 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 9.8 tt0 -50.87 -59.99 3.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.703 -1.135 . . . . 1.29 110.231 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 64.6 mmtt -49.74 -43.9 48.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.248 -0.887 . . . . 2.94 112.51 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.59 -46.62 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 1.1 111.125 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.6 m-85 -69.09 -20.17 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.844 0.313 . . . . 1.92 111.844 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.614 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 34.1 mtpt -72.67 -42.63 64.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.967 -0.382 . . . . 1.69 109.967 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -67.09 -30.27 70.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.761 -0.829 . . . . 2.5 108.761 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.519 ' CE1' HG21 ' A' ' 19' ' ' THR . 47.7 t80 -67.88 -52.52 35.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.455 -0.793 . . . . 2.13 110.358 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.41 84.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.066 0.46 . . . . 1.06 109.777 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.41 -45.2 80.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.122 -0.944 . . . . 2.14 110.67 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -73.73 -19.76 60.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.451 -0.795 . . . . 1.78 110.775 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.32 -11.89 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 1.78 110.918 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.97 60.55 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.825 -0.625 . . . . 0.44 112.955 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.51 129.44 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 120.936 0.398 . . . . 1.12 110.905 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -150.18 99.14 2.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.471 -0.786 . . . . 1.86 109.534 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.562 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -151.25 -168.4 15.78 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 121.317 -0.468 . . . . 0.63 112.064 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.9 mm-40 -54.32 150.6 8.47 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.858 0.387 . . . . 2.79 110.955 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.614 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 8.9 m95 -126.22 112.75 16.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.284 -0.416 . . . . 0.41 111.409 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.76 153.81 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.466 -0.334 . . . . 1.25 110.806 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.441 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 37.6 t80 -135.09 149.6 50.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.695 0.283 . . . . 1.95 111.344 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -129.66 131.43 46.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.782 -1.192 . . . . 2.07 107.782 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.71 -9.08 55.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.633 0.254 . . . . 2.28 111.638 -171.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.771 -0.372 . . . . 1.42 111.541 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.9 p -121.91 5.37 9.9 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.981 0.734 . . . . 1.95 112.981 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 53.74 49.6 18.87 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.087 0.47 . . . . 2.56 110.543 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.403 ' HG1' ' HG3' ' A' ' 7' ' ' LYS . 7.0 m -116.87 124.44 49.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.387 -0.37 . . . . 1.17 111.696 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.468 ' OH ' ' HB1' ' A' ' 26' ' ' ALA . 21.6 m-85 -98.23 136.71 38.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.799 -0.815 . . . . 1.98 108.799 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.39 127.12 53.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.612 -0.267 . . . . 1.44 111.286 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 14.6 p -121.17 103.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.662 -0.866 . . . . 1.15 108.662 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.562 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 25.3 m -103.34 129.29 50.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.108 -0.951 . . . . 1.14 111.411 -176.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.08 143.56 57.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 2.56 110.119 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.73 -164.88 25.17 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 120.675 -0.774 . . . . 2.32 112.191 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.2 m -117.83 118.52 32.24 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.764 -0.256 . . . . 4.8 110.518 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -144.66 -174.21 16.7 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.955 -0.64 . . . . 4.49 111.998 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.73 -24.17 36.59 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.424 -0.893 . . . . 6.24 112.542 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.28 137.24 57.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.715 0.293 . . . . 6.72 110.471 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.6 -36.87 2.55 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.822 -0.626 . . . . 8.41 111.611 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.04 -40.77 34.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.4 -0.905 . . . . 10.44 111.263 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 65.12 167.75 0.18 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.697 0.799 . . . . 12.73 112.181 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.36 -40.11 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.578 -0.737 . . . . 11.72 111.854 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.4 mmt 63.08 -167.54 0.21 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.237 0.615 . . . . 14.76 111.693 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.4 mt 71.96 63.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 122.452 1.12 . . . . 14.51 108.996 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.67 20.46 15.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.629 -1.623 . . . . 16.8 108.8 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.684 ' HB3' ' HD2' ' A' ' 73' ' ' PRO . 16.6 mm-40 -80.78 169.53 19.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 114.692 -1.14 . . . . 17.64 109.692 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.684 ' HD2' ' HB3' ' A' ' 72' ' ' GLU . 30.8 Cg_endo -66.07 -179.73 1.53 Allowed 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.221 1.948 . . . . 20.73 112.726 178.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 68.67 148.71 0.06 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.349 -0.841 . . . . 20.94 112.072 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 75' ' ' LEU . 3.7 mm? -100.65 151.53 37.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.745 -0.661 . . . . 23.39 109.541 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.57 145.93 45.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 121.304 1.336 . . . . 23.54 111.799 176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -45.56 125.95 8.18 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.783 2.989 . . . . 25.03 113.761 -177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.46 -10.69 54.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 115.664 -0.698 . . . . 26.59 114.556 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -95.62 134.92 37.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 118.257 1.029 . . . . 27.13 110.979 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.458 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 40.6 tt0 -116.53 153.13 32.73 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.511 -0.551 . . . . 26.95 109.511 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.43 ' HE2' ' HB3' ' A' ' 81' ' ' MET . 13.9 tmm? -135.54 135.18 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.77 109.35 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.887 ' HE2' HG23 ' A' ' 92' ' ' VAL . 18.3 pttt -161.73 158.76 26.32 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.906 -0.776 . . . . 28.73 108.906 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -103.13 157.1 17.23 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.868 0.366 . . . . 29.77 111.504 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.9 p -83.2 -172.65 4.26 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.297 -0.631 . . . . 32.42 109.297 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 p -83.98 12.1 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.915 0.388 . . . . 34.47 111.852 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -121.09 -1.45 9.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.425 -0.583 . . . . 35.43 109.425 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.91 6.46 69.63 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.733 -0.746 . . . . 31.32 112.295 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.36 138.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.757 0.313 . . . . 32.2 110.511 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.533 ' HD3' ' OD2' ' A' ' 103' ' ' ASP . 28.1 ttt180 -90.55 133.06 35.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 28.83 110.857 -177.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -139.67 155.62 47.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.83 -0.433 . . . . 30.27 109.83 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -113.44 151.95 30.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.884 -0.413 . . . . 28.69 109.884 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.887 HG23 ' HE2' ' A' ' 82' ' ' LYS . 18.5 t -119.15 128.45 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 29.45 111.494 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.78 129.84 40.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.195 -1.039 . . . . 29.7 108.195 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -83.24 -22.91 32.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.415 0.524 . . . . 29.9 112.415 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.533 ' ND2' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER -82.14 -37.07 26.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.888 -0.325 . . . . 31.42 111.529 -174.695 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.533 HG21 ' ND2' ' A' ' 95' ' ' ASN . 17.0 p -97.86 -17.09 19.49 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.224 -0.297 . . . . 33.14 111.437 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 57.5 71.04 0.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.049 0.928 . . . . 35.9 109.939 -175.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 t -143.7 169.92 16.83 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.37 -1.286 . . . . 32.79 109.704 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 p -118.64 123.02 43.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.881 -0.414 . . . . 32.98 109.881 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -130.86 158.13 41.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.819 -0.551 . . . . 31.05 110.32 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -105.77 101.93 11.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.425 -0.352 . . . . 32.23 110.722 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 102' ' ' LYS . 2.7 tmmm? -137.64 94.26 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.726 -0.472 . . . . 28.42 109.726 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.574 ' OD1' ' HB2' ' A' ' 105' ' ' ARG . 8.7 t70 -120.37 131.61 24.38 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.008 -0.738 . . . . 27.97 109.008 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.541 ' O ' ' HD3' ' A' ' 106' ' ' PRO . 8.7 Cg_exo -70.58 -11.51 29.88 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.696 2.264 . . . . 26.03 112.773 -178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.574 ' HB2' ' OD1' ' A' ' 103' ' ' ASP . 1.8 mpt_? -76.0 109.75 9.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 122.172 0.189 . . . . 27.8 110.778 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 104' ' ' PRO . 34.2 Cg_exo -57.33 118.89 5.84 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 121.56 1.507 . . . . 29.23 111.861 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.93 -35.8 2.72 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 118.969 -0.906 . . . . 30.74 113.884 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.4 p90 41.25 27.33 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 123.806 0.842 . . . . 30.1 113.052 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.247 0.926 0 N-CA-C 108.717 -0.846 . . . . 32.01 108.717 -178.705 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 112.188 -0.365 . . . . 5.35 112.188 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -76.42 -22.68 54.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.156 0.503 . . . . 2.67 110.864 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -92.32 157.43 16.64 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.734 -0.469 . . . . 3.19 109.734 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.8 mtp -114.0 137.13 52.12 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.379 -0.601 . . . . 2.57 109.379 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.03 117.94 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.143 0.497 . . . . 1.99 111.35 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.507 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 56.1 m-85 -113.73 136.51 52.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.364 -0.976 . . . . 1.38 108.364 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.467 ' HB3' HG22 ' A' ' 20' ' ' THR . 7.1 ptmm? -118.06 152.99 34.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.216 0.531 . . . . 3.1 111.874 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 55' ' ' TYR . 26.9 tp -126.96 146.33 50.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.083 -0.962 . . . . 1.12 110.306 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.835 HG12 ' HG2' ' A' ' 18' ' ' GLU . 91.0 mt -127.35 118.67 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.063 -0.717 . . . . 1.31 109.063 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -91.88 108.89 20.24 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.476 -0.565 . . . . 1.03 109.476 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -104.68 86.61 2.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.459 -0.571 . . . . 1.96 109.459 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.53 -158.55 9.91 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.91 111.215 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 34.0 mtpt -91.8 -59.3 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.414 0.524 . . . . 3.78 112.414 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -97.23 -12.52 22.89 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.645 -0.659 . . . . 2.46 111.533 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 40' ' ' ASN . 20.0 mt -115.7 98.03 6.46 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.255 0.55 . . . . 2.37 109.89 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -133.54 115.94 15.33 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.14 -0.936 . . . . 3.04 109.658 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.38 -172.1 44.5 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.483 -1.047 . . . . 0.49 110.483 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.835 ' HG2' HG12 ' A' ' 9' ' ' ILE . 3.3 mt-10 -135.69 170.09 16.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.154 0.502 . . . . 1.69 111.061 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -160.93 168.99 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 1.15 109.191 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 7' ' ' LYS . 9.2 p -142.14 153.66 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 1.09 112.092 -177.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -154.82 156.74 36.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.972 -0.751 . . . . 1.07 108.972 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -105.91 123.83 48.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.891 0.377 . . . . 2.26 110.458 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.57 157.96 44.93 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.808 -0.441 . . . . 1.13 109.808 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.2 m -98.23 7.28 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 1.73 111.387 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -155.11 157.85 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 2.13 111.253 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.94 23.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.804 -0.634 . . . . 1.32 111.354 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.65 76.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.647 0.737 . . . . 1.21 109.531 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -67.18 -30.12 69.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.953 -1.021 . . . . 1.15 110.876 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.82 -37.18 56.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.515 -0.55 . . . . 1.09 109.515 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.19 -62.14 2.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.077 -0.965 . . . . 1.29 110.142 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.11 -43.78 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.243 0.831 . . . . 2.94 113.243 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.79 -49.32 65.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.025 -0.27 . . . . 1.1 111.068 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.08 -21.32 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.522 -0.308 . . . . 1.92 111.422 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.12 -43.33 87.48 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.68 -0.489 . . . . 1.69 109.68 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -70.6 -30.99 67.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.351 -0.611 . . . . 2.5 109.351 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.88 -48.49 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.489 -0.778 . . . . 2.13 110.184 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.21 -38.89 68.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.961 -0.563 . . . . 1.06 110.526 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -58.21 -42.91 87.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.485 -0.779 . . . . 2.14 110.65 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -18.72 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 1.78 111.319 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.413 ' HB3' HD12 ' A' ' 15' ' ' LEU . 36.2 m-80 -99.37 -8.5 24.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.654 0.264 . . . . 1.78 110.808 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.28 27.17 28.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.686 -0.768 . . . . 0.44 112.975 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.28 119.43 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.171 0.51 . . . . 1.12 110.892 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -144.8 145.71 31.77 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.429 -0.952 . . . . 1.86 108.429 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 177.71 -169.53 41.57 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.754 -0.736 . . . . 0.63 111.469 -176.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.92 136.41 57.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.092 -0.336 . . . . 2.79 110.092 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.191 0.52 . . . . 0.41 110.893 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -112.94 146.87 38.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.604 -0.726 . . . . 1.25 109.889 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.75 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 24.8 t80 -130.4 130.11 43.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.698 0.285 . . . . 1.95 111.092 -176.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.68 103.93 12.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.477 -1.305 . . . . 2.07 107.477 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -68.12 -22.67 64.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.589 0.218 . . . . 2.28 111.589 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.3 -33.28 69.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.763 0.316 . . . . 1.42 111.082 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.8 p -106.9 -3.29 20.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.247 0.462 . . . . 1.95 112.247 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HD2' ' CE1' ' A' ' 6' ' ' TYR . 71.3 mmtt 52.48 49.87 19.5 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.759 0.79 . . . . 2.56 110.333 -177.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -125.04 130.6 52.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.902 -1.045 . . . . 1.17 111.471 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.75 ' CE2' ' HB2' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -100.94 131.21 46.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.348 -0.982 . . . . 1.98 108.348 172.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.3 m -116.35 120.99 40.62 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.861 -0.335 . . . . 1.44 111.062 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -106.12 110.74 32.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 108.562 -0.903 . . . . 1.15 108.562 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.445 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 13.6 m -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.595 -0.729 . . . . 1.14 111.029 -176.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -79.18 135.08 36.7 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.95 -1.13 . . . . 2.56 107.95 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.99 106.38 0.39 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.776 -1.202 . . . . 2.32 111.452 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 p -126.29 123.21 37.57 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.836 0.351 . . . . 4.8 110.373 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.02 42.34 2.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.117 -0.563 . . . . 4.49 112.958 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.41 -25.54 25.69 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 6.24 111.34 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 66.99 -74.12 0.07 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.541 0.736 . . . . 6.72 111.461 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -178.73 164.2 32.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.894 -0.669 . . . . 8.41 112.167 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.03 23.48 11.48 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.223 -0.751 . . . . 10.44 111.223 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -88.14 133.73 33.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.812 0.339 . . . . 12.73 110.672 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.52 -148.33 24.0 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.911 -0.661 . . . . 11.72 111.779 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.1 ptp -154.1 150.93 28.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.16 0.48 . . . . 14.76 110.632 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.2 mt -115.11 26.0 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.076 -1.083 . . . . 14.51 108.076 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -89.98 21.7 3.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.755 -1.111 . . . . 16.8 111.673 -176.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -74.0 131.26 81.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.041 -0.355 . . . . 17.64 110.041 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.55 -179.54 5.53 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 122.468 2.112 . . . . 20.73 112.97 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 66.35 -167.19 0.21 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.057 -0.974 . . . . 20.94 111.132 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD23 ' H ' ' A' ' 75' ' ' LEU . 2.9 mm? -63.46 119.52 54.22 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.416 -0.811 . . . . 23.39 110.336 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -65.28 153.6 77.47 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.164 1.91 . . . . 23.54 111.112 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -46.88 124.13 8.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.653 2.236 . . . . 25.03 111.783 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.6 27.74 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.311 -0.947 . . . . 26.59 113.475 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -93.36 131.7 38.27 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.694 0.747 . . . . 27.13 110.539 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.417 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 45.7 mt-10 -123.73 143.81 50.06 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.728 -0.471 . . . . 26.95 109.728 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -117.41 127.89 54.47 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.471 -0.566 . . . . 25.77 109.471 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -143.91 157.34 44.42 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.428 -0.582 . . . . 28.73 109.428 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -109.56 151.16 27.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.031 -0.359 . . . . 29.77 110.031 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -80.9 -170.01 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 32.42 109.476 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 p -85.19 8.18 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.216 0.531 . . . . 34.47 111.471 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -121.1 0.82 10.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.446 0.641 . . . . 35.43 109.569 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.31 10.34 74.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.585 -0.816 . . . . 31.32 112.256 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.3 t -80.87 140.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.794 -0.447 . . . . 32.2 109.794 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -93.49 130.47 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.907 -0.588 . . . . 28.83 111.46 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -141.74 158.43 43.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.415 -0.587 . . . . 30.27 109.415 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -114.5 155.35 26.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.257 0.551 . . . . 28.69 111.341 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 57.6 t -127.08 122.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 29.45 111.167 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 98.32 10.52 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.377 -0.971 . . . . 29.7 108.377 175.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -72.86 -16.17 61.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.909 0.385 . . . . 29.9 110.665 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -75.89 -39.36 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.513 . . . . 31.42 111.145 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.8 p -104.6 -10.57 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 33.14 111.029 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 62.97 56.7 1.77 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 122.024 0.916 . . . . 35.9 110.764 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.2 p -139.83 157.88 45.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.788 -1.551 . . . . 32.79 110.049 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 p -98.15 147.92 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.076 -0.342 . . . . 32.98 110.076 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 t -145.81 153.3 40.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.408 -0.59 . . . . 31.05 109.408 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.709 ' HE1' ' HE2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -122.83 98.6 5.98 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.593 -0.443 . . . . 32.23 110.271 -176.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -142.02 112.87 7.35 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.442 -0.345 . . . . 28.42 111.42 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.569 ' OD2' ' HB2' ' A' ' 105' ' ' ARG . 16.2 t70 -120.29 131.83 24.31 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.56 -0.533 . . . . 27.97 109.56 176.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.419 ' HG2' ' NH1' ' A' ' 105' ' ' ARG . 78.5 Cg_endo -86.4 16.98 1.84 Allowed 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.773 2.315 . . . . 26.03 114.445 -176.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.569 ' HB2' ' OD2' ' A' ' 103' ' ' ASP . 4.7 mpt_? -99.94 141.57 23.01 Favored Pre-proline 0 C--N 1.319 -0.742 0 C-N-CA 120.892 -0.323 . . . . 27.8 110.662 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.07 135.86 36.06 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.667 2.245 . . . . 29.23 112.609 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.17 -31.2 8.74 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 120.68 -0.771 . . . . 30.74 113.768 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.709 ' HE2' ' HE1' ' A' ' 101' ' ' PHE . 56.1 t80 -102.27 81.51 2.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.016 0.908 . . . . 30.1 110.119 -177.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 118.571 -0.728 . . . . 32.01 109.111 178.58 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 111.159 -0.776 . . . . 5.35 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m 60.31 -159.82 0.3 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.616 0.366 . . . . 2.67 110.953 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -86.5 150.45 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.127 -0.694 . . . . 3.19 109.127 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.1 mtp -112.15 138.54 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.041 -0.355 . . . . 2.57 110.041 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -80.3 126.21 30.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 1.99 110.836 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -119.93 146.49 45.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.306 -0.998 . . . . 1.38 108.306 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.641 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.68 151.58 44.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.837 0.351 . . . . 3.1 111.358 -176.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 19.1 tp -128.95 144.55 51.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 1.12 110.26 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.722 HG12 ' HG2' ' A' ' 18' ' ' GLU . 71.1 mt -126.89 117.55 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.862 -0.608 . . . . 1.31 109.438 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -90.67 110.5 21.67 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.1 -0.704 . . . . 1.03 109.1 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -107.92 87.37 2.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.737 -0.838 . . . . 1.96 108.737 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -158.82 8.95 Favored Glycine 0 CA--C 1.506 -0.494 0 CA-C-N 115.462 -0.79 . . . . 0.91 111.592 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -94.67 -59.83 1.84 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.511 0.56 . . . . 3.78 112.511 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.3 1.03 54.32 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.555 0.693 . . . . 2.46 110.1 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.72 98.98 4.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.411 -0.813 . . . . 2.37 109.251 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -132.09 116.37 16.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.235 -0.893 . . . . 3.04 108.962 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.82 -170.93 43.44 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.254 -0.974 . . . . 0.49 111.855 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.722 ' HG2' HG12 ' A' ' 9' ' ' ILE . 33.6 mt-10 -136.99 167.89 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.282 . . . . 1.69 110.465 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -167.0 158.54 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.359 -0.608 . . . . 1.15 109.359 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.6 p -131.88 158.39 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 1.09 111.701 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -160.2 157.22 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.88 -0.785 . . . . 1.07 108.88 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -97.57 145.55 26.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.748 0.308 . . . . 2.26 110.301 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.84 158.01 34.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.923 -0.769 . . . . 1.13 108.923 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 m -95.05 -11.03 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.399 -0.52 . . . . 1.73 112.27 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.7 156.54 45.04 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.109 -0.33 . . . . 2.13 110.109 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.871 0.367 . . . . 1.32 110.881 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.01 -28.71 68.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 1.21 111.168 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -75.64 -28.35 58.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 1.15 110.982 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.29 71.83 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.379 0.609 . . . . 1.09 109.471 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -56.67 -65.42 0.62 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.82 -1.082 . . . . 1.29 110.08 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -48.08 -41.4 26.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.639 -1.164 . . . . 2.94 113.212 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.03 -48.12 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.961 0.41 . . . . 1.1 110.777 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.63 -20.55 64.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.92 111.418 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -66.09 -39.9 90.37 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.086 0.47 . . . . 1.69 109.875 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -72.7 -32.6 65.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 2.5 108.754 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -65.45 -52.65 51.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 2.13 110.553 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.76 74.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 1.06 110.152 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -63.91 -39.3 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.89 -0.595 . . . . 2.14 110.397 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.3 -27.37 67.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.001 -0.545 . . . . 1.78 111.086 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -93.36 -5.63 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.185 0.517 . . . . 1.78 110.636 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 14.73 77.27 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.783 -0.644 . . . . 0.44 113.596 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.94 123.18 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 117.303 0.552 . . . . 1.12 111.023 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -141.63 137.24 31.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.634 -0.712 . . . . 1.86 109.7 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.81 -170.15 41.9 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.925 -0.87 . . . . 0.63 110.925 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.51 147.57 52.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.978 0.389 . . . . 2.79 110.481 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -112.41 116.28 30.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.71 -0.677 . . . . 0.41 110.918 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.467 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.5 p -107.27 157.49 17.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.049 -0.523 . . . . 1.25 110.335 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -146.78 142.25 27.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 1.95 110.58 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -122.2 138.98 54.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.822 -1.177 . . . . 2.07 107.822 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.48 -30.84 21.7 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.529 -0.468 . . . . 2.28 111.419 -173.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.68 68.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.506 -0.315 . . . . 1.42 111.346 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.495 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 19.5 p -110.92 -17.48 13.3 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.812 1.042 . . . . 1.95 113.812 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 65.96 13.87 9.29 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.099 0.476 . . . . 2.56 110.911 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.638 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 11.5 m -77.42 123.52 26.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 1.17 112.031 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 15.9 m-85 -96.61 135.64 38.23 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.158 -1.053 . . . . 1.98 108.158 172.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.467 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 85.0 m -129.37 129.77 45.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 1.44 111.581 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.43 113.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.688 -0.856 . . . . 1.15 108.688 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -102.22 125.21 48.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.735 -0.666 . . . . 1.14 111.091 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.54 88.78 7.02 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.005 -0.543 . . . . 2.56 110.78 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.31 153.15 13.72 Favored Glycine 0 C--N 1.341 0.807 0 N-CA-C 114.923 0.729 . . . . 2.32 114.923 172.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 m -102.37 -52.41 3.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.435 -0.58 . . . . 4.8 109.435 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.94 120.83 1.58 Allowed Glycine 0 CA--C 1.523 0.531 0 C-N-CA 120.887 -0.673 . . . . 4.49 112.77 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.81 7.07 82.42 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.307 -0.949 . . . . 6.24 111.985 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 68.48 173.47 0.28 Allowed 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.403 0.681 . . . . 6.72 111.64 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -119.47 170.6 14.07 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.473 -0.785 . . . . 8.41 111.625 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.2 -36.8 55.74 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.112 -0.566 . . . . 10.44 112.694 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 64.44 -178.46 0.17 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.899 0.381 . . . . 12.73 110.984 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.44 -179.53 28.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.954 -0.641 . . . . 11.72 113.032 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.2 tpt -149.43 113.19 5.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.47 -0.567 . . . . 14.76 109.47 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.6 mm -134.18 92.67 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 109.862 -0.421 . . . . 14.51 109.862 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -123.69 9.74 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.714 0.769 . . . . 16.8 110.604 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -81.9 152.62 69.12 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 114.607 -1.179 . . . . 17.64 110.184 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.28 169.04 23.37 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 122.17 1.913 . . . . 20.73 111.753 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.67 178.15 2.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.711 -0.677 . . . . 20.94 111.126 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.41 150.41 51.48 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.207 -0.664 . . . . 23.39 109.207 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -52.12 153.39 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.79 1.66 . . . . 23.54 111.88 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -62.36 131.01 32.19 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.064 1.843 . . . . 25.03 111.229 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.56 -22.64 32.09 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.537 -0.84 . . . . 26.59 112.808 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -93.38 141.07 28.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.072 0.436 . . . . 27.13 110.61 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.65 ' HG2' ' HE2' ' A' ' 82' ' ' LYS . 6.8 tp10 -134.07 149.27 51.13 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.531 -0.544 . . . . 26.95 109.531 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' A' ' 81' ' ' MET . 11.7 tmm? -129.26 123.53 32.17 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.543 -0.299 . . . . 25.77 110.355 -177.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.65 ' HE2' ' HG2' ' A' ' 80' ' ' GLU . 63.2 mttm -146.11 157.34 43.84 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.003 -0.74 . . . . 28.73 109.003 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.68 150.92 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.23 -0.285 . . . . 29.77 110.23 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.1 p -78.58 -174.64 3.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.652 -0.499 . . . . 32.42 109.652 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.29 87.67 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.958 0.355 . . . . 34.47 111.958 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.72 7.27 24.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.828 0.347 . . . . 35.43 110.951 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.57 25.92 57.75 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.506 -0.854 . . . . 31.32 113.412 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.41 138.4 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.131 -0.692 . . . . 32.2 109.131 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -84.66 122.22 28.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.197 -0.456 . . . . 28.83 112.151 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -133.48 156.27 48.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.837 -0.801 . . . . 30.27 108.837 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -116.59 149.94 38.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 28.69 110.789 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.625 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 56.2 t -113.98 107.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 29.45 110.983 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.24 96.3 5.2 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.091 -0.707 . . . . 29.7 109.091 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -73.64 -14.72 61.22 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.319 -0.552 . . . . 29.9 110.961 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -75.07 -35.73 61.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 31.42 111.467 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 p -113.69 -1.97 13.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.072 0.463 . . . . 33.14 110.878 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 59.15 74.27 0.45 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.058 -0.974 . . . . 35.9 111.268 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 t -160.94 177.84 9.98 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.476 -1.238 . . . . 32.79 110.605 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.6 p -123.65 145.23 49.1 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.104 -0.702 . . . . 32.98 109.104 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 t -150.57 158.43 44.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.918 -0.489 . . . . 31.05 111.325 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -110.5 102.41 11.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.681 -0.69 . . . . 32.23 110.668 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -132.98 94.85 3.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.748 0.309 . . . . 28.42 110.839 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -120.26 139.23 28.22 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.117 -0.697 . . . . 27.97 109.117 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.11 -14.96 40.9 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.909 2.406 . . . . 26.03 113.359 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -97.09 109.72 50.66 Favored Pre-proline 0 CA--C 1.534 0.338 0 C-N-CA 121.176 -0.209 . . . . 27.8 110.589 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.92 118.93 3.83 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 121.291 1.327 . . . . 29.23 111.825 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.21 -28.47 2.61 Favored Glycine 0 CA--C 1.522 0.49 0 CA-C-N 116.046 -0.524 . . . . 30.74 112.313 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.5 t80 66.9 7.82 5.6 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.087 0.47 . . . . 30.1 110.564 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--O 1.249 1.033 0 N-CA-C 108.86 -0.793 . . . . 32.01 108.86 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.989 0 N-CA-C 111.619 -0.593 . . . . 5.35 111.619 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t 71.75 -58.99 0.57 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.238 0.615 . . . . 2.67 110.978 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -111.41 169.4 8.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.324 -0.398 . . . . 3.19 110.152 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 ptp -129.84 134.52 47.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.141 -1.059 . . . . 2.57 108.141 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -70.39 133.7 47.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 1.99 112.225 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -130.27 143.44 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.694 -0.854 . . . . 1.38 108.694 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.677 ' HB3' HG21 ' A' ' 20' ' ' THR . 5.2 ptpp? -133.01 156.64 46.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.017 0.437 . . . . 3.1 111.649 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.582 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 9.6 tp -132.73 137.1 46.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.155 -0.93 . . . . 1.12 109.449 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -116.25 121.59 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 1.31 108.865 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.48 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -89.49 108.84 19.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.411 -0.588 . . . . 1.03 109.411 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.573 ' CB ' HG21 ' A' ' 58' ' ' THR . 7.9 m120 -102.15 86.84 2.93 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.298 -0.865 . . . . 1.96 108.879 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.599 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -154.72 142.11 8.74 Favored Glycine 0 N--CA 1.438 -1.198 0 C-N-CA 119.91 -1.138 . . . . 0.91 111.928 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.522 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 mtpp -52.72 -27.88 19.54 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 123.947 0.899 . . . . 3.78 112.524 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.5 m -91.0 -26.48 19.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.742 0.306 . . . . 2.46 111.335 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -147.57 102.56 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 2.37 111.226 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 2.6 mptt -114.13 119.8 38.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.905 -0.776 . . . . 3.04 108.905 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.97 -167.35 38.61 Favored Glycine 0 CA--C 1.499 -0.945 0 N-CA-C 111.365 -0.694 . . . . 0.49 111.365 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -164.02 156.33 17.17 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.711 0.291 . . . . 1.69 110.362 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.1 t -152.1 172.24 16.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 1.15 109.63 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.677 HG21 ' HB3' ' A' ' 7' ' ' LYS . 20.1 p -132.5 157.81 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 1.09 111.951 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -150.92 148.4 28.37 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.777 -0.647 . . . . 1.07 109.409 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -96.5 104.02 15.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.832 -0.433 . . . . 2.26 109.832 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.14 158.38 17.47 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.571 -0.451 . . . . 1.13 110.446 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.02 7.15 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.538 0.209 . . . . 1.73 111.388 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -159.72 166.96 29.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.985 -0.746 . . . . 2.13 108.985 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.92 -57.85 3.54 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.951 0.352 . . . . 1.32 111.951 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -24.6 64.64 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.838 0.31 . . . . 1.21 111.838 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -67.21 -28.43 68.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 1.15 110.909 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -35.84 63.76 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.99 0.424 . . . . 1.09 110.148 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 7.1 tt0 -62.58 -60.26 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.408 -0.815 . . . . 1.29 109.965 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.61 -41.4 30.8 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.242 -0.89 . . . . 2.94 113.117 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.79 -50.44 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 122.265 -0.272 . . . . 1.1 111.36 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -64.06 -22.0 66.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.577 0.214 . . . . 1.92 111.577 -179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.2 mtpt -70.51 -41.18 72.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.989 0.423 . . . . 1.69 109.908 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -65.61 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.882 -0.785 . . . . 2.5 108.882 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -65.13 -53.09 50.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.92 -1.037 . . . . 2.13 110.787 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.5 -30.06 70.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.16 0.505 . . . . 1.06 110.729 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -65.31 -25.29 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 2.14 110.853 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.19 -31.28 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.305 0.483 . . . . 1.78 112.305 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -92.75 -6.15 49.68 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.216 -0.594 . . . . 1.78 110.883 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.86 32.9 48.05 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.773 -0.648 . . . . 0.44 113.586 176.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.65 120.85 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.091 0.472 . . . . 1.12 110.319 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.06 138.54 46.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.81 -0.632 . . . . 1.86 109.763 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.26 -170.43 42.04 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.035 -0.826 . . . . 0.63 111.035 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.65 143.17 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.563 0.22 . . . . 2.79 110.434 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.584 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.5 m95 -110.55 101.32 10.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.382 0.611 . . . . 0.41 110.463 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.463 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 12.1 p -103.89 160.16 15.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 1.25 110.787 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -147.94 142.85 26.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.693 0.282 . . . . 1.95 110.841 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.75 144.54 50.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.449 -0.945 . . . . 2.07 108.449 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -90.16 -20.79 22.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.625 -0.43 . . . . 2.28 111.303 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.96 73.61 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.062 -0.255 . . . . 1.42 111.655 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.6 p -118.44 4.3 11.79 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.758 0.651 . . . . 1.95 112.758 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.93 47.34 23.35 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.533 0.682 . . . . 2.56 110.063 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -112.02 121.89 46.25 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.549 -0.751 . . . . 1.17 112.218 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.582 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 48.9 m-85 -87.94 130.54 34.9 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.763 -1.569 . . . . 1.98 106.763 171.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.463 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 30.6 m -125.38 126.02 44.34 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.851 -0.531 . . . . 1.44 111.605 -177.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.66 114.64 47.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.432 -0.951 . . . . 1.15 108.432 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.573 HG21 ' CB ' ' A' ' 11' ' ' ASN . 1.2 m -118.75 128.5 54.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 1.14 111.773 -174.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -80.13 153.94 28.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.7 . . . . 2.56 109.485 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.62 170.03 15.41 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.431 -0.89 . . . . 2.32 112.0 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.3 t -105.32 -35.75 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.985 0.422 . . . . 4.8 110.325 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.07 -59.66 4.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.875 -0.678 . . . . 4.49 112.404 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.86 -41.17 50.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.492 -0.861 . . . . 6.24 112.036 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.25 100.07 11.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.953 -0.388 . . . . 6.72 109.953 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.68 38.23 0.76 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.632 -0.794 . . . . 8.41 112.144 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.2 -21.94 46.96 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.57 -0.824 . . . . 10.44 112.078 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 64.9 -165.29 0.24 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.99 0.424 . . . . 12.73 111.456 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.61 -119.46 1.16 Allowed Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.794 -0.717 . . . . 11.72 111.367 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 45.0 ttp -149.95 164.15 36.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.55 0.675 . . . . 14.76 109.289 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.9 mt -137.9 95.39 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.241 -0.652 . . . . 14.51 109.241 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -120.21 7.16 10.74 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.856 0.836 . . . . 16.8 109.777 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.45 151.35 80.52 Favored Pre-proline 0 C--N 1.313 -1.006 0 CA-C-N 114.275 -1.33 . . . . 17.64 110.097 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.84 -178.62 0.42 Allowed 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.962 2.441 . . . . 20.73 113.543 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -127.83 -178.12 4.38 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.939 -1.028 . . . . 20.94 111.15 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 79' ' ' TRP . 4.4 mm? -83.08 136.0 44.25 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 23.39 110.831 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -65.5 159.55 47.28 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.33 2.02 . . . . 23.54 110.429 175.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.79 128.78 26.71 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.819 1.679 . . . . 25.03 111.09 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.93 -29.34 12.71 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.631 -0.795 . . . . 26.59 112.622 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.465 ' HB3' HD12 ' A' ' 75' ' ' LEU . 77.6 m95 -88.13 122.1 31.3 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.319 0.56 . . . . 27.13 109.954 177.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.576 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 23.7 mt-10 -110.56 149.5 30.3 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.482 -0.487 . . . . 26.95 110.977 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.483 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . 7.8 ttt -121.1 126.39 49.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 25.77 110.318 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.455 ' NZ ' HG21 ' A' ' 92' ' ' VAL . 45.4 mttp -143.18 158.08 43.94 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.307 -0.627 . . . . 28.73 109.307 -176.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -110.58 162.06 15.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.069 0.461 . . . . 29.77 111.979 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 p -103.28 176.05 5.27 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.632 -1.248 . . . . 32.42 107.632 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 p -80.85 8.06 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.889 -0.507 . . . . 34.47 112.332 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -109.75 -0.3 18.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.332 -0.618 . . . . 35.43 109.332 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.82 7.35 68.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.685 -0.688 . . . . 31.32 112.093 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.3 t -81.93 140.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.046 0.45 . . . . 32.2 110.925 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 28.83 110.763 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -122.45 156.07 34.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.308 -0.627 . . . . 30.27 109.308 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' A' ' 81' ' ' MET . 86.1 m-85 -120.86 153.54 37.01 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.459 0.647 . . . . 28.69 111.396 -176.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.576 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 48.5 t -117.96 103.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.785 -1.098 . . . . 29.45 110.167 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.61 124.64 28.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.395 -1.335 . . . . 29.7 107.395 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -87.97 -12.38 44.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.41 0.893 . . . . 29.9 113.41 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -89.14 -36.7 15.56 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.618 -0.833 . . . . 31.42 111.332 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.5 p -90.07 -19.0 24.87 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.065 -0.397 . . . . 33.14 110.083 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 60.4 43.54 13.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.465 1.126 . . . . 35.9 109.445 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 m -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 113.077 -1.874 . . . . 32.79 108.995 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -88.21 143.14 27.22 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.128 0.422 . . . . 32.98 110.574 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.0 t -151.09 155.08 38.21 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.804 0.335 . . . . 31.05 110.691 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -99.36 100.47 11.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.366 -0.605 . . . . 32.23 109.366 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -132.44 104.47 6.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.858 0.361 . . . . 28.42 111.381 -176.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.96 139.33 20.95 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.258 -0.428 . . . . 27.97 110.122 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.68 -21.54 38.86 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 122.881 2.387 . . . . 26.03 113.997 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.55 128.13 60.32 Favored Pre-proline 0 C--N 1.331 -0.224 0 C-N-CA 120.489 -0.484 . . . . 27.8 109.864 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.43 118.47 5.36 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.722 1.614 . . . . 29.23 112.349 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.89 -26.25 1.74 Allowed Glycine 0 CA--C 1.525 0.692 0 CA-C-O 119.251 -0.749 . . . . 30.74 113.553 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.5 p90 40.41 36.27 0.34 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.52 0.728 . . . . 30.1 111.587 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.058 -0.974 . . . . 32.01 108.845 -178.424 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.457 0 N-CA-C 111.824 -0.51 . . . . 5.35 111.824 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 m -90.76 147.93 22.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.617 0.246 . . . . 2.67 110.535 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.06 130.43 55.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.765 -0.457 . . . . 3.19 109.765 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.7 mtp -102.23 138.76 38.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.861 -0.335 . . . . 2.57 110.208 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.81 118.32 23.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.279 -0.419 . . . . 1.99 110.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.93 152.57 20.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 1.38 109.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -117.12 136.29 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.01 -0.541 . . . . 3.1 110.292 -178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -118.98 141.8 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.575 -0.45 . . . . 1.12 110.35 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -123.86 113.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.943 -0.762 . . . . 1.31 108.943 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.2 mm? -87.32 109.52 19.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.563 -0.903 . . . . 1.03 108.563 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -103.74 87.75 2.89 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.962 -0.755 . . . . 1.96 108.962 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.17 -173.26 13.82 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.005 -1.093 . . . . 0.91 113.432 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 8.2 pttp -80.42 -60.37 2.35 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.326 -0.437 . . . . 3.78 112.103 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -94.05 -25.83 17.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.815 0.341 . . . . 2.46 110.632 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -120.49 106.25 11.63 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.395 -0.366 . . . . 2.37 111.875 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.85 137.96 45.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.438 -0.949 . . . . 3.04 108.438 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.43 -162.25 30.11 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.79 -0.719 . . . . 0.49 111.659 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.32 164.36 28.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 1.69 110.502 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.417 HG22 ' CE2' ' A' ' 36' ' ' TYR . 8.9 t -161.75 168.37 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.93 -0.767 . . . . 1.15 108.93 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.6 p -137.62 152.8 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.53 0.205 . . . . 1.09 111.287 -176.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 t -154.58 156.21 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.395 -0.595 . . . . 1.07 109.395 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.6 139.76 34.79 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.833 -0.432 . . . . 2.26 109.833 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.46 151.64 29.19 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.16 -0.311 . . . . 1.13 110.16 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -97.02 -8.55 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.662 0.268 . . . . 1.73 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -137.47 158.78 43.67 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.453 -0.573 . . . . 2.13 109.453 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.79 -44.13 51.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.582 -0.525 . . . . 1.32 109.582 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -58.87 -40.86 85.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.5 -0.773 . . . . 1.21 111.008 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -67.9 -28.16 67.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 1.15 111.597 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.63 -38.17 67.82 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.294 0.569 . . . . 1.09 109.537 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.606 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 26.6 tt0 -60.02 -55.75 30.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.781 -1.1 . . . . 1.29 109.722 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.5 mmtp -50.11 -44.87 52.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.349 -0.841 . . . . 2.94 112.622 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -71.38 -48.15 55.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.078 0.466 . . . . 1.1 111.137 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.71 -22.38 65.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.789 -0.641 . . . . 1.92 111.77 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.628 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.7 mtpp -71.1 -41.48 70.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.916 -0.401 . . . . 1.69 109.916 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.41 -33.87 76.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.291 -0.633 . . . . 2.5 109.291 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.417 ' CE2' HG22 ' A' ' 19' ' ' THR . 47.6 t80 -64.43 -50.25 68.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.631 -0.713 . . . . 2.13 110.554 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 1.06 109.949 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.17 -45.74 90.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 2.14 110.758 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.28 -23.94 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.78 111.261 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -88.94 -18.41 27.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 1.78 110.851 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.44 16.21 55.67 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.857 -0.687 . . . . 0.44 112.714 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.43 122.28 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 120.976 0.417 . . . . 1.12 110.42 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -144.66 139.46 28.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 1.86 109.705 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.62 -170.82 42.94 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.72 -0.952 . . . . 0.63 110.72 -176.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.46 150.15 32.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.891 0.345 . . . . 2.79 110.343 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.628 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.1 m95 -114.12 107.71 16.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 0.41 111.482 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 p -100.9 154.92 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 1.25 110.176 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -156.19 154.47 30.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.95 110.692 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -134.2 138.68 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.003 -0.74 . . . . 2.07 109.003 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.585 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 36.7 t70 -90.39 5.0 49.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 2.28 111.341 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.47 -40.15 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.843 -0.536 . . . . 1.42 111.709 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -113.46 -3.35 13.72 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.296 0.85 . . . . 1.95 113.296 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HE3' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER 61.28 29.17 18.52 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.035 0.445 . . . . 2.56 110.407 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -97.32 123.9 41.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.445 -0.343 . . . . 1.17 111.284 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.96 149.48 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.269 -0.641 . . . . 1.98 109.269 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.5 m -142.07 126.59 17.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.045 0.45 . . . . 1.44 111.309 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -106.12 112.9 41.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.155 -1.054 . . . . 1.15 108.155 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -104.31 126.36 51.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.601 -0.727 . . . . 1.14 112.004 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.94 113.98 25.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.315 -0.994 . . . . 2.56 108.315 176.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.62 109.35 2.98 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.279 -0.962 . . . . 2.32 111.017 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.8 m -126.06 169.86 12.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.766 0.317 . . . . 4.8 111.103 -176.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.0 167.32 29.28 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.901 -0.59 . . . . 4.49 113.128 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -131.21 6.59 5.68 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.661 -0.576 . . . . 6.24 111.661 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 73.39 -64.52 0.39 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.589 0.756 . . . . 6.72 111.56 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.29 -174.36 34.81 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.471 -0.652 . . . . 8.41 111.471 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.0 -40.98 1.47 Allowed Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.967 -0.635 . . . . 10.44 112.615 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -133.4 107.27 7.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.832 0.349 . . . . 12.73 110.203 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.26 49.96 0.28 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.748 -0.739 . . . . 11.72 112.052 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.2 tpt -147.32 83.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.168 0.509 . . . . 14.76 110.472 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.7 mt -143.01 95.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.131 -0.692 . . . . 14.51 109.131 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -125.54 10.17 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.159 0.504 . . . . 16.8 110.541 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -92.3 146.42 32.54 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 115.535 -0.757 . . . . 17.64 110.044 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.23 176.28 7.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.624 2.216 . . . . 20.73 113.372 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.68 178.3 10.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.008 -0.996 . . . . 20.94 110.061 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -95.33 148.89 35.37 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 110.057 -0.349 . . . . 23.39 110.057 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.484 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 16.5 Cg_exo -71.19 154.37 61.93 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.15 1.9 . . . . 23.54 111.146 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -49.88 124.37 12.4 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.915 2.41 . . . . 25.03 112.564 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.43 -25.46 24.41 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.663 -0.78 . . . . 26.59 113.974 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.484 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 77.8 m95 -87.17 137.88 31.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.795 0.797 . . . . 27.13 110.025 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.573 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 95.8 mt-10 -132.01 129.89 40.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.842 0.353 . . . . 26.95 110.521 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.402 ' C ' ' HG2' ' A' ' 82' ' ' LYS . 16.9 ttt -94.86 129.54 41.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.093 -0.706 . . . . 25.77 109.093 176.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.573 ' HZ2' HG21 ' A' ' 92' ' ' VAL . 12.1 mmtp -143.77 157.36 44.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.683 -0.488 . . . . 28.73 109.683 -174.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -116.09 146.4 42.25 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 110.218 -0.29 . . . . 29.77 110.218 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.665 ' HG1' ' HB ' ' A' ' 88' ' ' VAL . 58.4 p -82.9 -175.0 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.442 -0.577 . . . . 32.42 109.442 174.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -57.79 -48.19 80.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.306 0.484 . . . . 34.47 112.306 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.35 9.85 12.11 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.885 0.328 . . . . 35.43 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.07 24.5 48.18 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.653 -0.784 . . . . 31.32 113.983 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.665 ' HB ' ' HG1' ' A' ' 84' ' ' THR . 92.4 t -80.48 124.5 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.417 0.609 . . . . 32.2 109.487 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.1 117.84 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.721 -0.672 . . . . 28.83 111.424 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -131.14 154.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.19 -0.67 . . . . 30.27 109.19 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -112.32 145.82 39.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.296 0.57 . . . . 28.69 111.022 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.573 HG21 ' HZ2' ' A' ' 82' ' ' LYS . 65.5 t -114.92 112.42 39.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.286 -0.87 . . . . 29.45 111.365 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.581 ' HB2' ' HG1' ' A' ' 98' ' ' THR . 1.9 m-20 -80.72 92.29 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.985 -1.117 . . . . 29.7 107.985 174.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 6.57 6.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.123 0.487 . . . . 29.9 110.452 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.27 -50.81 5.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.074 -0.512 . . . . 31.42 110.807 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 p -105.89 4.51 29.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.933 0.345 . . . . 33.14 111.933 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 60.51 76.98 0.34 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.859 0.838 . . . . 35.9 110.901 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.581 ' HG1' ' HB2' ' A' ' 93' ' ' ASP . 0.8 OUTLIER -154.92 157.99 38.6 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.394 -1.275 . . . . 32.79 110.045 -176.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 p -123.27 132.7 54.11 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.808 -0.442 . . . . 32.98 109.808 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.0 t -139.56 158.52 43.98 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.327 0.584 . . . . 31.05 111.54 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -108.66 99.56 8.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 32.23 110.122 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.14 112.54 7.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.834 0.349 . . . . 28.42 110.346 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -104.07 145.4 30.59 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.092 -0.707 . . . . 27.97 109.092 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.458 ' HB2' HH11 ' A' ' 105' ' ' ARG . 0.9 OUTLIER -49.05 -37.32 37.53 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.733 2.288 . . . . 26.03 112.811 178.473 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.458 HH11 ' HB2' ' A' ' 104' ' ' PRO . 4.7 mpt_? -110.37 111.98 57.26 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.763 -0.199 . . . . 27.8 110.54 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -79.38 132.85 10.37 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 121.939 1.759 . . . . 29.23 112.877 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.67 -32.35 3.7 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-O 119.345 -0.697 . . . . 30.74 113.589 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.7 p90 41.46 30.14 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.807 0.843 . . . . 30.1 112.968 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.161 -0.923 . . . . 32.01 111.265 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.459 -0.256 . . . . 5.35 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t 68.09 176.94 0.26 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.12 0.486 . . . . 2.67 111.159 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.431 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 62.9 m170 -119.86 162.6 18.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 3.19 110.067 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mtp -136.24 134.7 38.37 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.431 -0.951 . . . . 2.57 108.431 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.537 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 6.6 tp-100 -79.6 135.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 1.99 111.317 -176.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -127.14 152.6 47.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.407 -0.815 . . . . 1.38 109.257 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' O ' ' HA ' ' A' ' 54' ' ' THR . 28.5 ttmt -132.89 133.31 43.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.461 -0.2 . . . . 3.1 110.461 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.8 tp -116.33 141.84 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.861 -0.422 . . . . 1.12 109.861 175.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.837 HG12 ' HG2' ' A' ' 18' ' ' GLU . 77.6 mt -118.15 123.28 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.97 -0.752 . . . . 1.31 108.97 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.501 HD23 ' HH ' ' A' ' 36' ' ' TYR . 1.4 mm? -92.61 106.0 18.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.575 -0.45 . . . . 1.03 110.088 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -96.68 87.46 4.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.697 -0.853 . . . . 1.96 108.697 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.36 -166.82 11.78 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.168 -0.924 . . . . 0.91 111.854 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -90.24 -57.13 2.95 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 111.809 0.3 . . . . 3.78 111.809 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -101.51 5.55 41.9 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.172 0.51 . . . . 2.46 110.729 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.48 98.77 4.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.641 -0.709 . . . . 2.37 109.533 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 18.7 mtpp -133.42 110.56 10.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.499 -0.773 . . . . 3.04 109.244 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.07 -165.72 35.37 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.912 -0.661 . . . . 0.49 111.81 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.837 ' HG2' HG12 ' A' ' 9' ' ' ILE . 26.4 mt-10 -138.34 168.29 20.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.761 0.28 . . . . 1.69 110.894 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.422 HG21 ' CZ ' ' A' ' 36' ' ' TYR . 9.3 t -163.92 149.86 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 1.15 109.543 175.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.537 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 38.8 p -116.84 163.46 16.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.595 -0.275 . . . . 1.09 110.951 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -158.35 153.23 25.06 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.638 -0.505 . . . . 1.07 109.638 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 30.9 mt-10 -98.23 105.66 17.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.573 -0.285 . . . . 2.26 110.265 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.83 152.34 47.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.856 -0.424 . . . . 1.13 109.856 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 24' ' ' VAL . 7.1 p -101.92 0.93 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-O 121.429 0.633 . . . . 1.73 110.896 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -146.39 157.06 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 2.13 111.145 -176.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.07 46.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 1.32 111.443 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.6 70.74 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.613 -0.514 . . . . 1.21 109.613 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -64.61 -29.5 70.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.714 . . . . 1.15 110.249 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.33 -38.17 63.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.131 0.491 . . . . 1.09 109.687 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 16.8 tt0 -61.02 -53.75 53.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.409 -0.814 . . . . 1.29 109.488 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -54.7 -44.85 73.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.035 0.754 . . . . 2.94 113.035 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.54 -48.33 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.846 0.355 . . . . 1.1 111.215 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.438 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 3.1 m-85 -70.55 -21.86 62.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.58 0.585 . . . . 1.92 112.58 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 45.7 mtpt -77.16 -39.22 49.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.551 -0.537 . . . . 1.69 109.551 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.04 93.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.496 -1.298 . . . . 2.5 107.496 174.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.501 ' HH ' HD23 ' A' ' 10' ' ' LEU . 34.3 t80 -60.84 -55.26 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.132 -1.395 . . . . 2.13 110.725 175.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.0 67.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.363 0.601 . . . . 1.06 110.789 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.63 -26.81 65.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 2.14 110.408 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -75.07 -30.6 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 1.78 111.021 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -100.17 2.73 43.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.9 0.381 . . . . 1.78 110.857 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.56 36.47 93.19 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 115.541 -0.754 . . . . 0.44 113.858 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.69 109.23 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.212 0.53 . . . . 1.12 110.517 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -129.68 137.93 50.89 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.565 -0.743 . . . . 1.86 109.229 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.05 -171.53 43.58 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.654 -0.979 . . . . 0.63 110.654 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 143.64 52.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 2.79 110.731 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.538 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.6 m95 -113.12 141.36 47.0 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.41 111.204 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -135.91 159.1 42.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 1.25 109.826 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -143.9 131.12 20.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.798 0.332 . . . . 1.95 111.839 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -108.47 131.8 54.44 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.128 -1.434 . . . . 2.07 107.128 174.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -85.37 -24.76 27.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.226 -0.59 . . . . 2.28 111.724 -172.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.25 -30.29 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.869 0.366 . . . . 1.42 111.038 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 p -111.0 -6.9 14.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.085 0.772 . . . . 1.95 113.085 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 56.35 32.82 21.21 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.78 0.8 . . . . 2.56 110.001 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.513 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 78.5 m -102.19 114.46 28.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.766 -1.106 . . . . 1.17 112.486 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 54.5 m-85 -85.48 139.61 31.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.433 -0.951 . . . . 1.98 108.433 171.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 m -127.16 131.48 50.72 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.611 -0.435 . . . . 1.44 110.957 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -113.63 116.25 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.971 -0.751 . . . . 1.15 108.971 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m -102.13 119.6 39.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.691 -0.686 . . . . 1.14 111.159 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.57 110.4 17.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.738 -0.664 . . . . 2.56 109.346 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.64 142.93 8.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.276 -0.964 . . . . 2.32 111.749 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 p -122.45 135.52 54.69 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.244 -0.28 . . . . 4.8 110.244 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.86 -39.79 1.04 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.977 -0.63 . . . . 4.49 112.055 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.66 29.07 8.88 Favored Glycine 0 N--CA 1.454 -0.165 0 C-N-CA 121.123 -0.56 . . . . 6.24 112.354 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 71.42 158.39 0.19 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.583 0.753 . . . . 6.72 111.547 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -164.95 107.04 0.29 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.792 -0.718 . . . . 8.41 112.137 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.39 -9.29 4.12 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.008 -0.615 . . . . 10.44 112.28 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 64.25 -73.15 0.05 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.635 0.774 . . . . 12.73 111.898 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.67 -31.04 2.79 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.395 -0.907 . . . . 11.72 112.941 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -100.49 133.22 45.24 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.613 -0.345 . . . . 14.76 110.837 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.4 mm -135.21 -52.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.518 0.199 . . . . 14.51 110.649 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -100.54 19.35 17.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 16.8 111.074 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -98.46 126.88 37.82 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.4 -0.364 . . . . 17.64 110.964 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -78.64 -178.42 4.63 Favored 'Trans proline' 0 CA--C 1.517 -0.349 0 C-N-CA 122.562 2.175 . . . . 20.73 112.818 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.53 130.13 27.68 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.318 -0.855 . . . . 20.94 111.091 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -90.65 130.06 42.48 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 23.39 109.79 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.86 147.36 94.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.008 1.805 . . . . 23.54 111.294 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -45.07 127.27 8.52 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.013 2.475 . . . . 25.03 112.491 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.16 -26.33 24.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.024 -1.084 . . . . 26.59 113.437 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -90.53 140.93 29.27 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.488 0.644 . . . . 27.13 111.2 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -125.15 150.86 46.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.761 -0.459 . . . . 26.95 109.761 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -128.78 132.37 47.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.363 -0.606 . . . . 25.77 109.363 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -146.42 157.06 43.72 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 110.094 -0.335 . . . . 28.73 110.094 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.82 153.92 23.72 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.849 0.357 . . . . 29.77 111.241 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.862 ' HG1' ' HB ' ' A' ' 88' ' ' VAL . 82.3 p -91.65 -169.35 2.27 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.146 -0.479 . . . . 32.42 110.096 175.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -62.03 -49.04 77.61 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.296 0.48 . . . . 34.47 112.296 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -83.65 9.12 12.35 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.35 -0.386 . . . . 35.43 111.656 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.66 58.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.483 -0.865 . . . . 31.32 113.22 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.862 ' HB ' ' HG1' ' A' ' 84' ' ' THR . 95.3 t -80.95 123.41 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.6 -0.518 . . . . 32.2 109.6 178.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -84.69 130.81 34.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 28.83 111.551 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -135.6 160.78 37.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.926 -0.768 . . . . 30.27 108.926 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.66 151.62 31.54 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.036 0.446 . . . . 28.69 111.483 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.62 130.89 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 29.45 111.128 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.6 118.83 30.35 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.567 -0.901 . . . . 29.7 108.567 175.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -76.81 -20.57 56.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 118.215 0.461 . . . . 29.9 111.382 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -78.22 -47.07 18.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.347 -0.388 . . . . 31.42 111.199 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.2 p -92.32 -11.97 33.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.296 -0.261 . . . . 33.14 110.296 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 62.93 36.17 12.87 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.588 0.709 . . . . 35.9 109.601 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -110.64 161.85 15.32 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.602 -1.181 . . . . 32.79 110.749 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.9 p -110.05 143.25 40.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.182 -1.044 . . . . 32.98 108.182 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -141.43 134.1 28.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 31.05 110.342 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.08 98.42 7.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 32.23 110.42 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -129.33 138.55 51.63 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.595 -0.729 . . . . 28.42 109.419 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -93.42 113.43 60.15 Favored Pre-proline 0 N--CA 1.441 -0.885 0 CA-C-O 121.092 0.472 . . . . 27.97 110.897 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.569 ' HD2' HH11 ' A' ' 105' ' ' ARG . 59.8 Cg_endo -78.16 -10.34 16.44 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.741 2.294 . . . . 26.03 111.536 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.569 HH11 ' HD2' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -111.24 108.96 56.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.092 -0.707 . . . . 27.8 109.092 178.283 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -52.29 119.36 5.7 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.948 1.765 . . . . 29.23 111.862 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.94 -29.21 7.67 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 120.823 -0.703 . . . . 30.74 112.693 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.0 p90 39.67 43.19 1.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.915 0.886 . . . . 30.1 112.908 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.373 -0.822 . . . . 32.01 111.901 178.771 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 112.466 -0.254 . . . . 5.35 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m 64.94 31.85 11.07 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.096 0.558 . . . . 2.67 111.933 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -78.13 144.62 36.29 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.332 -0.618 . . . . 3.19 109.332 176.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 ttm -131.01 162.57 29.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.804 -1.184 . . . . 2.57 107.804 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -95.41 108.49 20.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.721 0.296 . . . . 1.99 111.179 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -101.82 131.78 47.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.554 -0.906 . . . . 1.38 108.554 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.584 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 7.8 ptpp? -109.5 149.47 29.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 3.1 111.136 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.2 tp -125.93 136.71 53.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.343 -0.844 . . . . 1.12 110.183 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.8 mt -121.69 115.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.104 -0.702 . . . . 1.31 109.104 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.561 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -90.93 117.36 29.46 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.907 -0.775 . . . . 1.03 108.907 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -118.35 84.54 2.2 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.623 0.725 . . . . 1.96 109.332 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.703 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -140.37 153.8 23.71 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.514 -1.221 . . . . 0.91 110.544 175.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' H ' ' HG3' ' A' ' 13' ' ' LYS . 15.2 mttp -49.69 -40.17 39.28 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 123.831 0.852 . . . . 3.78 111.86 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -99.94 2.42 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 2.46 111.611 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.18 99.11 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 2.37 110.66 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.703 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 23.0 mtpp -128.79 109.25 11.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.838 -0.619 . . . . 3.04 109.374 177.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.45 -169.01 41.0 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 110.611 -0.996 . . . . 0.49 110.611 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -137.99 165.69 25.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.769 0.785 . . . . 1.69 111.789 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.6 t -156.03 175.22 14.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.864 -1.062 . . . . 1.15 108.969 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -139.72 159.57 41.86 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.798 0.295 . . . . 1.09 111.798 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.4 ' HB ' ' CZ ' ' A' ' 33' ' ' PHE . 4.6 t -152.01 156.5 40.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 1.07 110.181 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -106.8 118.77 37.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.777 -0.453 . . . . 2.26 109.777 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.33 158.66 43.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.334 -0.617 . . . . 1.13 109.334 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.77 7.28 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 1.73 111.398 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -154.03 155.86 36.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.009 -0.737 . . . . 2.13 109.009 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB1' ' HH ' ' A' ' 55' ' ' TYR . . . -77.42 -40.42 43.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.814 0.34 . . . . 1.32 110.747 -178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.72 -34.95 79.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.146 -0.479 . . . . 1.21 110.875 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -69.25 -29.25 67.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.86 -0.609 . . . . 1.15 110.827 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.35 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 1.09 109.38 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -61.53 -50.03 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.934 -1.03 . . . . 1.29 110.715 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 59.6 mmtt -61.77 -38.31 87.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.762 -0.654 . . . . 2.94 111.705 -175.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.1 t -74.14 -48.6 36.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 1.1 111.235 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.461 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -70.09 -23.88 63.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 1.92 112.094 -177.814 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 42.0 mtpt -73.23 -30.87 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.906 -0.496 . . . . 1.69 110.537 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 15.4 tm0? -76.16 -32.08 58.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.757 -1.201 . . . . 2.5 107.757 174.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.461 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 43.1 t80 -65.88 -50.14 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.197 -0.91 . . . . 2.13 110.59 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 -31.17 71.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.764 -0.653 . . . . 1.06 109.638 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 35' ' ' GLN . 5.9 t30 -59.46 -48.1 82.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.278 -0.874 . . . . 2.14 110.31 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -70.7 -10.53 59.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 1.78 111.543 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -99.69 -3.86 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.276 -0.42 . . . . 1.78 110.275 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.09 78.47 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.44 113.317 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.67 118.41 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 117.127 0.464 . . . . 1.12 110.992 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -136.13 123.54 22.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.52 -0.764 . . . . 1.86 109.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.24 -171.06 38.92 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.607 -0.806 . . . . 0.63 111.542 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -59.91 143.93 50.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.79 111.358 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 34' ' ' LYS . 3.9 m95 -115.89 112.61 22.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.41 110.951 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 p -106.45 153.84 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.836 -0.62 . . . . 1.25 110.578 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -150.46 151.5 32.82 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.269 0.355 . . . . 1.95 110.624 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -140.34 128.3 22.05 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.149 -1.056 . . . . 2.07 108.149 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -77.24 -9.55 58.87 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.128 0.418 . . . . 2.28 112.128 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.62 -38.06 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.543 -0.463 . . . . 1.42 111.852 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.3 p -106.92 -8.04 16.81 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.406 0.521 . . . . 1.95 112.406 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 59.55 36.36 22.81 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.186 0.517 . . . . 2.56 109.862 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.584 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.2 m -101.97 129.23 48.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.766 -0.652 . . . . 1.17 112.174 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.473 ' HH ' ' HB1' ' A' ' 26' ' ' ALA . 52.4 m-85 -110.29 135.48 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.908 -0.775 . . . . 1.98 108.908 172.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.7 m -131.29 133.6 45.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.86 -0.336 . . . . 1.44 111.193 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.11 118.88 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.619 -0.882 . . . . 1.15 108.619 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -115.16 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.818 -0.628 . . . . 1.14 111.656 -174.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' OE1' ' HG3' ' A' ' 13' ' ' LYS . 42.9 mt-10 -89.08 154.42 20.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 2.56 110.808 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.67 110.12 3.84 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.143 -1.183 . . . . 2.32 110.143 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 t -86.25 -76.9 0.33 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 121.085 -0.246 . . . . 4.8 111.616 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.83 74.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.48 -0.867 . . . . 4.49 112.636 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.35 -15.9 1.77 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.366 -0.921 . . . . 6.24 112.853 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.95 150.56 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.595 0.236 . . . . 6.72 111.321 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 127.41 108.56 1.51 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.891 -0.671 . . . . 8.41 112.524 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.75 -12.55 66.37 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.066 -0.588 . . . . 10.44 111.933 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 72.31 2.5 4.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.721 0.808 . . . . 12.73 112.456 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.9 -39.81 2.44 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 119.705 -0.497 . . . . 11.72 114.321 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 87.6 mmm 68.96 97.43 0.06 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.169 0.587 . . . . 14.76 109.726 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.8 mt -132.04 -16.45 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.991 0.424 . . . . 14.51 111.645 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 21.23 9.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.412 0.625 . . . . 16.8 109.866 -176.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -98.6 142.49 24.68 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.01 -0.995 . . . . 17.64 110.084 -174.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -78.82 -179.73 5.73 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.57 2.18 . . . . 20.73 112.371 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.59 -169.12 0.17 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.454 -0.794 . . . . 20.94 111.116 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.94 130.34 70.37 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.775 -0.648 . . . . 23.39 110.288 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.501 ' CB ' ' HD2' ' A' ' 77' ' ' PRO . 8.3 Cg_exo -67.43 173.63 8.47 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.042 1.828 . . . . 23.54 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.501 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 59.7 Cg_endo -61.97 129.71 28.34 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.587 2.191 . . . . 25.03 111.738 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.19 34.97 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 120.671 -0.776 . . . . 26.59 113.965 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -86.07 135.71 33.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 117.768 0.784 . . . . 27.13 110.154 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -123.41 132.72 54.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.789 0.328 . . . . 26.95 111.274 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.3 ttt -105.33 119.01 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.907 -1.146 . . . . 25.77 107.907 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -140.57 157.79 44.95 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.502 -0.479 . . . . 28.73 110.31 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -108.72 149.49 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.21 -0.293 . . . . 29.77 110.21 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -81.1 -178.42 6.89 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.319 -0.993 . . . . 32.42 108.319 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 p -78.67 8.1 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.095 0.474 . . . . 34.47 111.316 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.43 -2.39 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.528 -0.545 . . . . 35.43 109.528 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.01 21.67 45.15 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.765 -0.731 . . . . 31.32 113.089 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.6 t -107.45 127.22 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.855 0.359 . . . . 32.2 111.04 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.609 ' NH1' ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.79 140.76 53.39 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 28.83 112.046 179.634 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -150.8 159.35 44.59 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.813 -0.81 . . . . 30.27 108.813 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.609 ' HE1' ' NH1' ' A' ' 89' ' ' ARG . 98.0 m-85 -119.24 149.77 41.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.225 0.536 . . . . 28.69 110.728 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.9 t -108.98 116.53 52.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.728 -0.669 . . . . 29.45 109.994 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.527 ' HB3' HG23 ' A' ' 98' ' ' THR . 8.3 t70 -83.42 133.67 34.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.109 -1.071 . . . . 29.7 108.109 174.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -89.86 -20.56 23.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.83 0.678 . . . . 29.9 112.83 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -82.29 -35.56 27.88 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.185 -0.606 . . . . 31.42 111.794 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 p -102.07 -12.61 17.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.096 0.474 . . . . 33.14 109.797 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 57.38 75.42 0.37 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 114.8 -1.091 . . . . 35.9 110.518 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 93' ' ' ASP . 4.8 t -143.17 168.76 19.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.643 -1.162 . . . . 32.79 110.726 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -114.34 101.58 9.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.742 -1.207 . . . . 32.98 107.742 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 t -119.34 152.74 36.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.315 0.579 . . . . 31.05 111.895 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -106.02 98.8 8.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.529 -0.759 . . . . 32.23 109.172 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -114.24 131.84 56.34 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.121 0.486 . . . . 28.42 110.848 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -99.41 130.34 27.19 Favored Pre-proline 0 N--CA 1.427 -1.599 0 CA-C-N 115.514 -0.766 . . . . 27.97 110.469 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.3 -32.55 72.67 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.643 2.229 . . . . 26.03 111.605 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -110.05 107.66 58.85 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.932 -0.766 . . . . 27.8 108.932 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.69 119.02 3.8 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.563 2.176 . . . . 29.23 113.264 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.11 -34.27 3.45 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.725 -0.67 . . . . 30.74 112.629 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.4 t80 51.73 43.01 30.26 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 117.049 0.424 . . . . 30.1 110.348 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.094 -0.955 . . . . 32.01 110.284 -178.804 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.958 -0.457 . . . . 5.35 111.958 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -111.7 128.12 55.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.683 0.278 . . . . 2.67 110.688 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -89.81 140.59 29.44 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.874 -0.787 . . . . 3.19 108.874 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.4 mmm -100.04 135.46 41.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.399 -0.593 . . . . 2.57 109.399 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -91.06 120.16 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.781 -0.367 . . . . 1.99 110.774 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.35 142.09 47.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.732 -0.84 . . . . 1.38 108.732 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.1 ptmt -112.67 147.77 36.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.847 0.356 . . . . 3.1 110.483 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.524 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -129.64 143.21 50.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.099 -0.501 . . . . 1.12 110.081 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.55 HG22 ' OD1' ' A' ' 11' ' ' ASN . 81.2 mt -125.53 124.08 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.719 -0.845 . . . . 1.31 108.719 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.64 ' O ' ' HD2' ' A' ' 16' ' ' LYS . 1.3 mm? -94.3 93.24 7.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.209 -0.663 . . . . 1.03 109.209 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.651 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -88.47 86.75 7.09 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.432 -0.951 . . . . 1.96 108.432 178.244 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.594 ' H ' ' HD2' ' A' ' 16' ' ' LYS . . . -153.15 135.57 4.93 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.297 -1.121 . . . . 0.91 110.297 177.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -57.88 -19.93 33.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.093 0.447 . . . . 3.78 111.541 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -30.63 47.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.319 -0.4 . . . . 2.46 110.805 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 99.11 1.34 Allowed 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.163 -0.31 . . . . 2.37 110.163 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.651 ' CD ' ' HA ' ' A' ' 11' ' ' ASN . 9.0 mmmm -102.88 120.23 40.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.112 0.482 . . . . 3.04 109.94 175.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.76 171.79 42.39 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.306 -0.861 . . . . 0.49 111.116 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -131.83 161.25 33.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.219 -0.289 . . . . 1.69 110.219 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.6 t -159.97 173.84 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.241 -0.436 . . . . 1.15 110.354 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.6 p -133.84 161.97 33.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.324 -0.398 . . . . 1.09 110.125 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.34 156.49 35.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.15 -0.315 . . . . 1.07 110.15 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.71 118.79 33.94 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.419 . . . . 2.26 109.867 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.8 153.63 50.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.18 -0.674 . . . . 1.13 109.18 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.22 8.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 1.73 111.262 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.599 ' HB3' ' HG1' ' A' ' 28' ' ' THR . 19.5 t70 -157.1 158.66 36.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.321 -0.622 . . . . 2.13 109.321 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.33 -50.24 19.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.464 -0.335 . . . . 1.32 111.389 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.24 -26.82 67.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.212 0.53 . . . . 1.21 110.025 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.599 ' HG1' ' HB3' ' A' ' 25' ' ' ASP . 16.4 m -72.3 -28.47 63.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.297 -0.865 . . . . 1.15 110.693 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.14 65.29 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.272 -0.64 . . . . 1.09 109.272 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 8.4 tt0 -59.26 -59.16 5.9 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.072 -0.967 . . . . 1.29 109.57 177.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.809 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 10.8 mmpt? -49.0 -41.78 35.66 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 2.94 112.515 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 28' ' ' THR . 91.6 t -73.11 -52.0 23.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.818 0.342 . . . . 1.1 111.227 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.476 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.1 m-85 -66.78 -24.08 66.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.866 0.321 . . . . 1.92 111.866 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.603 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.4 mtpt -69.87 -39.68 76.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.865 -0.42 . . . . 1.69 109.865 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -66.24 -31.51 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.814 -0.81 . . . . 2.5 108.814 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.476 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 26.6 t80 -70.05 -50.56 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.89 -1.05 . . . . 2.13 110.569 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.37 -37.08 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.95 -0.568 . . . . 1.06 110.431 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.34 -38.03 87.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.789 . . . . 2.14 110.222 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.04 -26.6 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 1.78 111.151 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -89.28 -17.45 28.94 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.228 -0.442 . . . . 1.78 110.664 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.93 10.18 61.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.841 -0.695 . . . . 0.44 112.603 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -95.27 116.42 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.867 0.365 . . . . 1.12 110.576 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -138.52 136.2 35.86 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.957 -0.757 . . . . 1.86 108.957 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.16 -170.09 41.63 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.95 -0.86 . . . . 0.63 110.95 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.568 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 11.2 pt-20 -54.94 141.18 34.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 2.79 110.681 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.603 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.7 m95 -112.56 122.31 47.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.936 0.398 . . . . 0.41 109.987 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 p -123.9 158.07 32.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.616 -0.72 . . . . 1.25 110.041 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -149.98 150.55 31.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 1.95 110.657 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -130.6 135.71 48.15 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.847 -0.797 . . . . 2.07 108.847 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -77.3 -29.66 53.8 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.763 0.316 . . . . 2.28 111.41 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.58 63.91 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.103 0.409 . . . . 1.42 112.103 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.518 ' CB ' ' HG1' ' A' ' 54' ' ' THR . 24.6 p -104.37 -11.61 17.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.312 0.856 . . . . 1.95 113.312 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER 57.92 31.24 20.31 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.424 0.631 . . . . 2.56 109.848 -177.426 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.518 ' HG1' ' CB ' ' A' ' 52' ' ' THR . 7.9 m -99.48 122.65 42.87 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.563 -0.744 . . . . 1.17 111.987 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.524 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 42.4 m-85 -93.2 134.0 35.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.588 -1.264 . . . . 1.98 107.588 171.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.0 m -132.19 131.81 42.54 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.365 -0.534 . . . . 1.44 111.655 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.54 123.75 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.217 -1.031 . . . . 1.15 108.217 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 5.5 m -118.13 126.66 52.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.654 0.613 . . . . 1.14 112.654 -173.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -76.45 98.21 4.52 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.117 -1.438 . . . . 2.56 107.117 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.26 112.05 3.91 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.328 -0.939 . . . . 2.32 113.211 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 m -65.67 98.3 0.37 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 4.8 110.294 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.0 64.3 0.28 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.535 -0.757 . . . . 4.49 111.607 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.92 29.67 4.54 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.959 -0.639 . . . . 6.24 112.151 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 61.89 20.08 11.2 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.112 0.565 . . . . 6.72 112.121 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.85 158.71 31.02 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.723 -0.751 . . . . 8.41 112.589 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.97 35.39 4.01 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.491 -0.385 . . . . 10.44 112.231 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -59.08 102.65 0.13 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 12.73 111.553 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.13 148.82 4.86 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.29 -0.724 . . . . 11.72 111.29 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 66.0 mtt 54.0 47.67 22.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.275 0.537 . . . . 14.76 110.96 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mt -99.9 71.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.259 -0.645 . . . . 14.51 109.259 -176.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -129.87 16.48 5.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.204 -0.907 . . . . 16.8 110.314 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -102.79 133.43 20.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.698 -0.683 . . . . 17.64 109.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.43 169.32 21.99 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.748 2.299 . . . . 20.73 112.578 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -172.76 169.98 4.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.159 -0.928 . . . . 20.94 109.497 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.92 149.11 79.86 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.944 -0.391 . . . . 23.39 109.944 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.4 Cg_exo -72.53 149.07 49.08 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.073 1.849 . . . . 23.54 111.026 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -47.12 124.81 9.42 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.881 2.387 . . . . 25.03 112.298 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.19 -30.56 9.63 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.703 -0.681 . . . . 26.59 112.631 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.604 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -93.52 144.72 25.1 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.451 -0.574 . . . . 27.13 109.451 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -142.61 158.65 43.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.498 -0.481 . . . . 26.95 110.015 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.827 ' HE3' ' HG3' ' A' ' 89' ' ' ARG . 1.5 tmt? -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.703 -0.68 . . . . 25.77 109.572 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -147.46 156.18 42.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.809 -0.441 . . . . 28.73 109.809 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.533 ' CZ ' ' HE1' ' A' ' 81' ' ' MET . 82.4 m-85 -102.91 146.25 28.6 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.962 -0.385 . . . . 29.77 109.962 176.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 86' ' ' GLU . 26.7 p -77.69 179.42 6.62 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.95 -0.759 . . . . 32.42 108.95 175.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 p -76.05 11.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 34.47 111.611 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 84' ' ' THR . 39.4 tt0 -121.54 -2.52 9.42 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.401 -0.818 . . . . 35.43 109.139 -178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.69 21.87 52.1 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.345 -0.843 . . . . 31.32 113.236 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 68.8 t -96.79 142.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 32.2 110.999 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.827 ' HG3' ' HE3' ' A' ' 81' ' ' MET . 64.5 ttt180 -86.29 124.36 32.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 28.83 111.994 -177.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -134.1 154.48 51.16 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.807 -0.357 . . . . 30.27 110.102 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -108.07 141.7 39.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.079 0.466 . . . . 28.69 111.012 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.47 120.64 65.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.837 -0.62 . . . . 29.45 110.983 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.78 115.2 27.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.962 -1.125 . . . . 29.7 107.962 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -79.83 -5.58 55.71 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.877 0.695 . . . . 29.9 112.877 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.607 ' ND2' HG21 ' A' ' 96' ' ' THR . 0.0 OUTLIER -92.32 -34.59 14.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.557 -0.457 . . . . 31.42 111.296 -178.265 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.607 HG21 ' ND2' ' A' ' 95' ' ' ASN . 39.9 p -108.18 -7.97 15.88 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 122.1 -0.375 . . . . 33.14 110.922 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 62.61 30.08 16.97 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.554 1.168 . . . . 35.9 111.187 177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.3 p -104.35 156.11 18.2 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.406 -1.724 . . . . 32.79 110.776 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 p -112.57 104.21 12.3 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.235 -0.283 . . . . 32.98 110.235 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.4 t -96.02 146.86 24.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.024 0.44 . . . . 31.05 110.193 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -115.45 107.12 14.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.808 -0.441 . . . . 32.23 109.808 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -133.0 99.94 4.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.827 0.346 . . . . 28.42 110.577 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.81 135.2 22.93 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.825 -0.806 . . . . 27.97 108.825 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.467 ' HG2' ' HD2' ' A' ' 105' ' ' ARG . 20.2 Cg_endo -60.88 -19.1 60.63 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 122.936 2.424 . . . . 26.03 113.645 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.569 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 2.4 mpt_? -107.18 112.87 62.78 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.402 -0.592 . . . . 27.8 109.402 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.09 129.25 16.93 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 121.575 1.517 . . . . 29.23 112.049 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.16 -22.76 7.86 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-O 119.205 -0.775 . . . . 30.74 113.333 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.0 p90 39.46 41.13 0.67 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.468 0.707 . . . . 30.1 112.065 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.202 -0.904 . . . . 32.01 108.922 -179.823 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.707 -0.557 . . . . 5.35 111.707 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -93.28 -65.23 1.01 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.578 0.228 . . . . 2.67 111.2 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.1 144.67 49.13 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.451 -0.341 . . . . 3.19 111.057 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.3 mtp -114.93 137.89 51.46 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.578 -0.527 . . . . 2.57 109.578 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -74.95 115.41 14.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.376 -0.374 . . . . 1.99 111.662 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -111.49 143.3 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.572 -0.899 . . . . 1.38 108.572 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.3 mttt -116.52 162.91 16.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.392 -0.523 . . . . 3.1 111.718 -177.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 23.5 tp -145.91 125.6 13.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.185 -0.916 . . . . 1.12 111.237 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mp -113.24 119.69 61.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 108.85 -0.796 . . . . 1.31 108.85 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.45 109.67 21.06 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.583 -0.525 . . . . 1.03 109.583 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -103.58 88.42 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 1.96 109.78 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.618 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -136.6 126.84 3.9 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.844 -0.902 . . . . 0.91 110.844 178.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -48.67 -30.26 5.29 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.629 0.974 . . . . 3.78 113.629 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -95.05 -42.06 8.81 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.78 -0.368 . . . . 2.46 111.473 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -129.99 109.6 11.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.981 -0.377 . . . . 2.37 109.981 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.618 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -113.8 155.89 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.352 -0.981 . . . . 3.04 108.352 176.332 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.29 -173.03 45.89 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.596 -0.812 . . . . 0.49 111.848 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -164.94 150.45 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.8 0.333 . . . . 1.69 110.541 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 t -163.41 178.78 7.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.077 -0.51 . . . . 1.15 110.921 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.4 p -138.35 159.46 42.01 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.4 -0.364 . . . . 1.09 111.164 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -149.54 156.78 42.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.901 -0.407 . . . . 1.07 109.901 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -105.42 109.17 21.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.111 -0.495 . . . . 2.26 110.137 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.66 160.25 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.708 -0.479 . . . . 1.13 109.708 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 m -109.12 7.85 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 1.73 111.887 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -143.78 144.45 31.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.203 -0.199 . . . . 2.13 110.801 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.37 90.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 1.32 110.287 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 31' ' ' LYS . . . -61.61 -40.5 95.06 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.868 -0.605 . . . . 1.21 110.831 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 m -65.78 -34.16 77.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.507 -0.315 . . . . 1.15 111.154 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.31 78.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.059 -0.719 . . . . 1.09 109.059 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.9 tt0 -65.93 -57.27 8.23 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.795 -1.093 . . . . 1.29 109.669 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 27.9 mtpp -50.35 -46.69 55.92 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.251 0.834 . . . . 2.94 113.251 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.9 t -72.2 -46.65 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 1.1 110.947 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.404 ' CG ' HD21 ' A' ' 8' ' ' LEU . 2.2 m-85 -69.86 -24.22 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.413 -0.358 . . . . 1.92 111.802 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 33.4 mtpt -67.31 -46.27 74.02 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 121.021 -0.272 . . . . 1.69 110.439 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -33.18 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.228 -1.027 . . . . 2.5 108.228 177.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -65.0 -53.99 37.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.104 -0.953 . . . . 2.13 110.62 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.32 87.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.681 . . . . 1.06 110.918 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -62.65 -34.38 76.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 2.14 110.231 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 1.78 110.628 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -76.3 -12.54 60.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.023 0.44 . . . . 1.78 110.471 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.18 10.64 57.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.05 -0.595 . . . . 0.44 112.716 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.15 100.55 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 121.762 0.791 . . . . 1.12 110.857 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -129.18 101.49 6.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.781 -1.099 . . . . 1.86 108.875 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -171.27 14.5 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.61 -0.805 . . . . 0.63 111.417 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 146.72 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 2.79 110.884 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.496 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.9 m95 -110.3 131.29 55.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.41 111.573 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 138.85 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.656 -0.868 . . . . 1.25 108.656 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -136.0 153.49 51.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.103 0.478 . . . . 1.95 111.343 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -132.24 130.04 40.42 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.879 -1.156 . . . . 2.07 107.879 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.44 -13.47 46.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.289 -0.564 . . . . 2.28 111.011 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.55 -33.1 62.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 1.42 111.348 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -116.47 -11.14 11.17 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.82 1.045 . . . . 1.95 113.82 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 66.85 23.09 10.07 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.319 0.581 . . . . 2.56 111.221 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.4 m -88.6 122.63 32.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.715 -0.675 . . . . 1.17 111.251 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 45.2 m-85 -102.53 137.31 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.745 -0.835 . . . . 1.98 108.745 174.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -128.26 127.63 43.18 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.478 -0.328 . . . . 1.44 110.599 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -109.13 117.66 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.81 -0.811 . . . . 1.15 108.81 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 m -105.44 124.42 49.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.69 -0.687 . . . . 1.14 111.562 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.45 120.21 22.85 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.029 -1.1 . . . . 2.56 108.029 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.08 108.75 2.09 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 119.831 -1.176 . . . . 2.32 112.439 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.2 t -90.12 -10.14 45.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.723 0.297 . . . . 4.8 110.432 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.45 -174.19 20.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.8 -0.714 . . . . 4.49 111.848 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.33 -39.99 3.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.819 -0.705 . . . . 6.24 112.086 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.61 -47.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.236 0.541 . . . . 6.72 110.231 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.0 -161.67 16.43 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.611 -0.722 . . . . 8.41 112.511 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.59 32.17 5.43 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.286 -0.483 . . . . 10.44 113.32 -177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -80.4 103.34 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.124 -0.695 . . . . 12.73 109.124 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.75 143.97 9.84 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.046 -1.073 . . . . 11.72 113.22 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.569 ' HG3' HG13 ' A' ' 70' ' ' ILE . 25.8 ptm -127.66 7.56 6.28 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.196 0.522 . . . . 14.76 110.273 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.569 HG13 ' HG3' ' A' ' 69' ' ' MET . 78.3 mt -141.26 101.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.252 -0.886 . . . . 14.51 109.328 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -114.39 8.42 16.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.349 0.595 . . . . 16.8 110.754 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -68.76 136.52 90.15 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.034 -0.985 . . . . 17.64 110.785 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -89.21 161.76 5.7 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 123.074 2.516 . . . . 20.73 111.688 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.66 176.85 5.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.867 0.365 . . . . 20.94 110.899 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.93 136.52 92.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.508 . . . . 23.39 110.532 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -70.64 147.44 57.2 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.856 1.704 . . . . 23.54 110.789 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.45 127.0 15.03 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.806 2.337 . . . . 25.03 111.849 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.62 23.79 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.329 -0.938 . . . . 26.59 113.198 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -89.46 137.53 32.25 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.472 -0.566 . . . . 27.13 109.472 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -123.3 143.42 50.09 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.216 0.531 . . . . 26.95 110.99 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 55.1 ttp -113.49 112.47 23.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.124 -0.944 . . . . 25.77 108.8 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -136.99 155.31 49.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.243 -0.583 . . . . 28.73 110.141 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -122.17 152.77 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.09 -0.337 . . . . 29.77 110.09 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.7 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.371 -0.974 . . . . 32.42 108.371 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 m -79.79 15.99 1.25 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.071 0.462 . . . . 34.47 111.95 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -122.58 0.01 9.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.185 -0.461 . . . . 35.43 110.543 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.74 11.92 59.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.512 -0.851 . . . . 31.32 112.661 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.5 t -89.14 126.51 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.687 -0.486 . . . . 32.2 109.687 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -94.74 122.24 37.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.032 -0.531 . . . . 28.83 111.221 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -126.67 151.32 48.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.609 -0.515 . . . . 30.27 109.609 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -118.07 145.8 44.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.823 -0.436 . . . . 28.69 109.823 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -113.65 112.22 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.919 -0.582 . . . . 29.45 111.251 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.46 90.86 5.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.641 -0.874 . . . . 29.7 108.641 175.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -75.32 -4.09 37.2 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.801 -0.562 . . . . 29.9 110.999 -177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -73.69 -48.82 29.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.027 0.442 . . . . 31.42 110.48 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 p -104.37 -7.33 20.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 33.14 111.012 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 65.42 77.45 0.3 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.937 0.875 . . . . 35.9 111.348 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.8 t -158.53 171.65 19.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.691 -1.14 . . . . 32.79 109.543 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -123.06 143.43 49.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.88 -0.415 . . . . 32.98 109.88 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.4 t -147.29 156.7 43.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.927 -0.309 . . . . 31.05 110.429 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -114.59 96.76 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.34 -0.615 . . . . 32.23 109.34 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -144.15 122.57 12.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.45 -0.341 . . . . 28.42 110.804 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -108.53 129.3 24.18 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.016 -0.735 . . . . 27.97 109.016 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.22 -4.87 15.25 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.708 2.272 . . . . 26.03 113.676 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -108.79 107.47 60.08 Favored Pre-proline 0 N--CA 1.466 0.34 0 O-C-N 121.94 -0.475 . . . . 27.8 111.103 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -58.83 120.41 8.26 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.24 1.96 . . . . 29.23 111.753 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.79 -36.39 3.86 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 119.089 -0.839 . . . . 30.74 113.507 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.8 p90 37.21 38.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.013 0.746 . . . . 30.1 113.013 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.297 -0.859 . . . . 32.01 109.52 -179.524 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.89 -0.484 . . . . 5.35 111.89 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -75.55 176.14 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.6 0.238 . . . . 2.67 110.396 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -102.31 170.45 8.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.824 -0.436 . . . . 3.19 109.824 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.6 tpt -122.63 149.91 43.37 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.385 -1.339 . . . . 2.57 107.385 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -86.48 102.49 14.13 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.725 -0.39 . . . . 1.99 110.35 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 57.0 m-85 -90.52 141.75 28.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.316 -0.624 . . . . 1.38 109.316 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.591 ' HD3' ' N ' ' A' ' 8' ' ' LEU . 3.9 tmtm? -120.06 146.86 45.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.326 -0.852 . . . . 3.1 109.69 -173.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.591 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 12.6 tp -141.69 142.64 33.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 1.12 110.754 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -125.27 124.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 108.763 -0.828 . . . . 1.31 108.763 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.12 99.27 12.11 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 120.169 -0.612 . . . . 1.03 109.449 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 3.6 m-80 -87.25 86.76 7.3 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.069 -1.086 . . . . 1.96 108.069 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.634 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -130.77 122.15 3.46 Favored Glycine 0 C--O 1.221 -0.671 0 CA-C-N 115.609 -0.723 . . . . 0.91 111.311 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -45.54 -40.83 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.76 1.022 . . . . 3.78 113.76 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.3 m -83.72 -42.29 16.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.72 -0.392 . . . . 2.46 111.56 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.6 tp -133.74 115.37 14.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.627 0.251 . . . . 2.37 110.741 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.634 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -115.73 148.28 39.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.235 -0.654 . . . . 3.04 109.235 178.113 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.9 -172.66 44.92 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.823 -0.703 . . . . 0.49 111.518 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.457 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -158.66 154.53 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.939 0.37 . . . . 1.69 111.252 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -152.9 -178.71 7.08 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.765 -0.652 . . . . 1.15 110.388 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.3 p -140.79 164.2 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.127 -0.488 . . . . 1.09 110.325 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -156.5 156.56 33.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.715 0.293 . . . . 1.07 110.515 176.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -94.87 99.83 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 2.26 109.935 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 6' ' ' TYR . . . -124.95 158.12 34.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.861 -0.422 . . . . 1.13 109.861 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.9 m -109.22 7.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.397 0.517 . . . . 1.73 112.397 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -159.03 160.35 35.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.835 -0.346 . . . . 2.13 111.296 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.43 -45.72 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 1.32 111.51 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 1.21 110.633 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -65.41 -34.37 78.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 1.15 110.65 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.5 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.094 0.474 . . . . 1.09 109.89 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -62.44 -58.58 7.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.355 -0.839 . . . . 1.29 109.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -48.64 -47.21 40.52 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.602 -0.726 . . . . 2.94 112.785 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.37 -48.62 66.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.732 0.301 . . . . 1.1 111.603 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.556 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 4.4 m-85 -70.67 -20.71 62.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.413 -0.358 . . . . 1.92 111.892 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.56 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 30.8 mtpt -70.92 -42.61 69.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.947 -0.39 . . . . 1.69 109.947 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -43.3 95.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.837 -1.171 . . . . 2.5 107.837 175.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.556 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 27.1 t80 -57.14 -50.74 71.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.339 -1.755 . . . . 2.13 111.414 178.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.82 -34.14 71.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 1.06 110.794 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.83 -40.26 94.67 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.875 -0.602 . . . . 2.14 110.404 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.92 -26.66 66.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 1.78 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -91.51 -4.5 55.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.065 -0.516 . . . . 1.78 110.504 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.5 78.04 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.432 -0.804 . . . . 0.44 113.193 177.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -91.02 123.53 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 117.297 0.549 . . . . 1.12 110.634 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -139.64 132.96 29.97 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.532 -0.914 . . . . 1.86 108.532 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.77 -171.55 43.74 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.36 -0.924 . . . . 0.63 111.595 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.71 150.97 42.44 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.66 0.267 . . . . 2.79 110.468 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.56 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.7 m95 -114.44 138.72 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.41 111.419 -177.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.31 163.95 28.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.297 -0.865 . . . . 1.25 110.233 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -154.29 148.0 25.36 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 110.131 -0.322 . . . . 1.95 110.131 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.69 153.31 37.09 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.826 -1.175 . . . . 2.07 107.826 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -90.34 -17.43 27.33 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.714 0.635 . . . . 2.28 112.714 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.55 -49.65 7.4 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.744 -0.597 . . . . 1.42 112.153 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -104.8 -5.25 21.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 112.633 0.605 . . . . 1.95 112.633 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.95 36.4 18.74 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.496 0.665 . . . . 2.56 109.927 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.437 ' HA ' ' HB3' ' A' ' 7' ' ' LYS . 46.3 m -83.81 108.83 17.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.19 -0.913 . . . . 1.17 111.199 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 24.2 m-85 -83.62 126.97 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.25 -0.648 . . . . 1.98 109.25 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.76 121.68 41.43 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.35 -0.386 . . . . 1.44 111.576 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 57' ' ' VAL . 12.1 p -108.55 110.52 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.854 -1.165 . . . . 1.15 107.854 175.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.417 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 9.9 m -103.86 113.64 27.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.617 -0.72 . . . . 1.14 112.103 -173.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.89 104.83 4.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.761 -1.2 . . . . 2.56 107.761 176.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.07 107.43 0.64 Allowed Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 119.033 -1.556 . . . . 2.32 112.784 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -127.51 -53.16 1.36 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.673 -1.232 . . . . 4.8 107.673 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.29 -174.46 37.89 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.39 -0.823 . . . . 4.49 113.579 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.52 23.49 4.51 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.003 -0.618 . . . . 6.24 111.817 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.63 142.44 27.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.71 0.29 . . . . 6.72 110.508 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.19 34.57 32.62 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.768 -0.73 . . . . 8.41 112.467 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.11 -23.66 56.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.829 -0.701 . . . . 10.44 111.865 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 61.97 86.39 0.11 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.408 0.623 . . . . 12.73 110.428 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.06 165.83 16.82 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.467 -0.873 . . . . 11.72 112.851 -177.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.445 ' HB3' ' OE1' ' A' ' 72' ' ' GLU . 52.5 mtt -101.59 114.39 28.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.309 -0.626 . . . . 14.76 109.309 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 72' ' ' GLU . 63.1 mt -121.4 -34.76 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 121.097 0.475 . . . . 14.51 111.013 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -79.98 24.03 0.43 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.849 -0.614 . . . . 16.8 111.154 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' OE1' ' HB3' ' A' ' 69' ' ' MET . 15.7 mm-40 -56.05 139.92 70.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.922 -0.581 . . . . 17.64 111.952 -178.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.64 172.52 16.06 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.656 2.237 . . . . 20.73 112.22 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.36 158.25 6.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.93 -0.577 . . . . 20.94 111.081 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.23 150.74 45.51 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.637 -0.71 . . . . 23.39 109.21 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -57.61 144.0 93.57 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 120.815 1.01 . . . . 23.54 110.617 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.14 124.37 10.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.989 2.459 . . . . 25.03 112.738 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.27 -24.56 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.776 -0.726 . . . . 26.59 113.654 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -86.96 128.83 35.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 117.505 0.653 . . . . 27.13 110.618 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.598 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 18.7 mm-40 -109.3 139.64 43.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.844 0.354 . . . . 26.95 110.247 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.461 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 12.0 tmm? -114.32 130.61 56.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.374 -0.973 . . . . 25.77 108.374 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 81' ' ' MET . 23.6 mttp -148.97 156.49 42.35 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 110.342 -0.244 . . . . 28.73 110.342 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.45 157.76 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.639 0.257 . . . . 29.77 110.521 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.45 ' HG1' ' HB ' ' A' ' 88' ' ' VAL . 24.6 p -90.97 168.63 11.52 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.843 -1.169 . . . . 32.42 107.843 174.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 p -76.33 13.97 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.399 0.518 . . . . 34.47 112.399 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -120.78 -2.91 9.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.185 0.516 . . . . 35.43 109.629 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.55 7.29 59.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.631 -0.795 . . . . 31.32 113.199 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.45 ' HB ' ' HG1' ' A' ' 84' ' ' THR . 57.6 t -87.44 145.88 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.548 -0.538 . . . . 32.2 109.548 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -104.36 136.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.48 0.181 . . . . 28.83 111.196 -175.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -143.78 158.91 43.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.236 -0.653 . . . . 30.27 109.236 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -114.57 153.71 29.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.314 0.578 . . . . 28.69 111.524 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 58.7 t -126.57 121.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.504 -0.771 . . . . 29.45 110.612 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 104.96 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.526 -0.916 . . . . 29.7 108.526 177.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -71.17 1.21 6.25 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.999 -0.438 . . . . 29.9 112.054 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -90.3 -50.06 6.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.687 -0.233 . . . . 31.42 110.889 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.3 p -100.82 -8.01 23.05 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.126 -0.23 . . . . 33.14 110.962 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 67.94 31.79 5.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.802 0.81 . . . . 35.9 110.376 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 p -99.31 156.43 17.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.463 -1.244 . . . . 32.79 110.941 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 p -107.28 104.63 14.28 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.774 -0.454 . . . . 32.98 109.774 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.2 t -109.75 157.75 18.83 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.499 0.666 . . . . 31.05 111.185 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.65 99.9 8.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.639 -0.71 . . . . 32.23 110.028 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -136.39 100.88 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.293 -0.632 . . . . 28.42 109.293 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.411 ' OD1' ' HB2' ' A' ' 105' ' ' ARG . 19.8 t70 -98.07 146.57 31.72 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 116.088 -0.506 . . . . 27.97 110.533 -177.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.481 ' O ' ' HD3' ' A' ' 106' ' ' PRO . 25.4 Cg_exo -53.55 -25.67 33.71 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.659 2.24 . . . . 26.03 112.097 177.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.411 ' HB2' ' OD1' ' A' ' 103' ' ' ASP . 10.1 mpt_? -90.2 107.79 22.03 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 109.672 -0.492 . . . . 27.8 109.672 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 104' ' ' PRO . 6.0 Cg_exo -78.08 129.9 9.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.363 1.375 . . . . 29.23 112.197 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 70.88 15.52 73.97 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 115.688 1.035 . . . . 30.74 115.688 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' A' ' 105' ' ' ARG . 49.3 p90 -60.26 -31.69 70.45 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.063 1.431 . . . . 30.1 110.411 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.248 1.017 0 O-C-N 124.042 0.839 . . . . 32.01 111.092 178.239 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.104 -0.398 . . . . 5.35 112.104 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -101.83 -178.81 3.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.837 0.351 . . . . 2.67 110.122 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -111.85 163.85 13.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.82 -0.437 . . . . 3.19 109.82 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.2 mtp -108.81 135.84 49.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.749 -0.834 . . . . 2.57 108.749 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -92.16 116.1 28.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.972 -0.381 . . . . 1.99 109.972 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -103.71 159.42 15.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.569 -0.53 . . . . 1.38 109.569 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.11 135.02 35.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.186 -0.461 . . . . 3.1 110.127 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.411 HD21 HD12 ' A' ' 10' ' ' LEU . 19.1 tp -120.02 142.14 49.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 1.12 110.732 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.0 mt -120.5 120.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.704 -0.851 . . . . 1.31 108.704 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' HE1' ' A' ' 36' ' ' TYR . 1.2 mm? -94.02 100.78 12.84 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.417 -0.513 . . . . 1.03 109.778 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.12 87.14 4.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.483 -0.932 . . . . 1.96 108.483 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.678 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -149.03 129.78 3.17 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.231 -1.148 . . . . 0.91 110.231 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -50.76 -32.93 21.25 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.362 0.505 . . . . 3.78 112.362 -175.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -83.95 -19.63 34.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.142 0.423 . . . . 2.46 112.142 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -156.99 104.68 2.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.419 -0.586 . . . . 2.37 109.419 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 9.7 mtmt -119.39 124.65 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.893 -0.594 . . . . 3.04 110.627 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.23 -171.49 44.3 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.734 -0.667 . . . . 0.49 111.793 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -136.05 163.62 29.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.255 -0.276 . . . . 1.69 110.255 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.414 HG23 ' CE1' ' A' ' 36' ' ' TYR . 14.6 t -161.42 164.0 30.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 1.15 110.376 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -134.69 161.34 35.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.381 -0.372 . . . . 1.09 110.455 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -158.18 143.81 16.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.849 -0.426 . . . . 1.07 109.849 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.88 121.68 36.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.384 -0.599 . . . . 2.26 109.384 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.35 159.2 42.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.832 -0.433 . . . . 1.13 109.832 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.1 m -104.73 2.84 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.265 0.469 . . . . 1.73 112.265 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.438 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 4.7 m-20 -132.82 144.25 50.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.888 -0.412 . . . . 2.13 109.888 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.95 71.79 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.029 0.443 . . . . 1.32 110.25 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -72.69 -37.3 67.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.629 -0.714 . . . . 1.21 111.387 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.438 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 16.6 m -66.24 -33.89 76.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.517 -0.311 . . . . 1.15 111.452 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.23 75.21 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.341 0.591 . . . . 1.09 109.639 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 18.4 tt0 -62.61 -57.1 12.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.648 -1.16 . . . . 1.29 109.95 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.4 mmtp -56.92 -43.96 81.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.407 -0.815 . . . . 2.94 112.707 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.24 -44.36 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 1.1 110.87 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' HD2' ' HA ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -70.0 -21.5 63.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.456 . . . . 1.92 112.024 -179.16 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.617 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.0 mtpp -76.39 -34.65 58.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.45 -0.574 . . . . 1.69 109.45 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -74.11 -30.98 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.85 -0.796 . . . . 2.5 108.85 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.437 ' HE1' HD23 ' A' ' 10' ' ' LEU . 42.2 t80 -64.04 -50.31 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.619 -0.719 . . . . 2.13 109.543 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 1.06 110.042 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -59.71 -40.73 88.96 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.463 -0.789 . . . . 2.14 110.332 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.31 -21.31 65.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 1.78 111.232 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -101.97 2.47 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.69 23.37 76.78 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 115.96 -0.564 . . . . 0.44 113.089 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.89 118.97 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.104 0.478 . . . . 1.12 110.536 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -150.41 97.88 2.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.705 -0.679 . . . . 1.86 109.246 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -130.87 -169.47 12.47 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 121.154 -0.546 . . . . 0.63 111.842 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.49 129.39 35.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.752 0.311 . . . . 2.79 110.197 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.617 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.0 m95 -100.18 115.0 28.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.838 -0.619 . . . . 0.41 111.372 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.426 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 21.6 p -116.46 160.18 20.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 1.25 109.942 178.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -144.6 156.81 44.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.92 0.39 . . . . 1.95 111.089 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.88 129.22 29.9 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.983 -1.117 . . . . 2.07 107.983 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -79.61 -23.6 42.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.019 0.378 . . . . 2.28 112.019 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.23 -37.42 45.39 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.915 -0.314 . . . . 1.42 111.714 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 p -97.87 -14.14 20.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.771 0.656 . . . . 1.95 112.771 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 63.11 13.05 6.49 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.55 0.69 . . . . 2.56 110.37 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.6 m -84.9 132.16 34.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.326 -0.852 . . . . 1.17 112.136 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -96.5 130.81 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.702 -1.221 . . . . 1.98 107.702 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.426 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 19.9 m -118.23 111.55 18.94 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.519 -0.472 . . . . 1.44 111.023 -176.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 57' ' ' VAL . 11.3 p -101.89 110.76 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.921 -0.77 . . . . 1.15 108.921 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -109.8 123.05 48.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 1.14 112.316 -173.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -72.02 153.21 41.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.086 -0.709 . . . . 2.56 109.086 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.26 132.26 1.63 Allowed Glycine 0 CA--C 1.51 -0.254 0 C-N-CA 120.184 -1.007 . . . . 2.32 112.207 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 p -158.38 -41.86 0.06 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.05 0.452 . . . . 4.8 110.294 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.24 57.73 0.68 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.014 -0.612 . . . . 4.49 111.865 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.16 12.05 70.57 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.506 -0.854 . . . . 6.24 112.016 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.19 -177.95 5.96 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.131 -0.322 . . . . 6.72 110.131 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.11 95.05 1.49 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.8 -0.714 . . . . 8.41 112.1 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.75 26.38 7.49 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.026 -0.607 . . . . 10.44 112.297 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -172.24 -54.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.185 0.594 . . . . 12.73 109.439 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.18 27.67 43.79 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.569 -0.824 . . . . 11.72 112.175 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.3 mmt 63.91 -162.35 0.28 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.621 0.368 . . . . 14.76 110.499 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.8 mt 59.86 46.44 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.714 0.768 . . . . 14.51 110.197 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -106.7 14.09 27.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.757 -0.656 . . . . 16.8 109.638 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.36 134.33 91.08 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.231 -0.895 . . . . 17.64 110.345 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.64 171.22 15.99 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.274 1.983 . . . . 20.73 113.718 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -164.64 138.55 5.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.276 -1.329 . . . . 20.94 108.783 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -99.91 126.92 35.15 Favored Pre-proline 0 C--N 1.321 -0.655 0 C-N-CA 120.742 -0.383 . . . . 23.39 110.946 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -64.6 154.49 71.84 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.202 1.935 . . . . 23.54 111.211 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -49.65 119.17 4.38 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.851 2.367 . . . . 25.03 112.378 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.22 -28.57 15.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.868 -0.682 . . . . 26.59 113.335 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -82.95 125.91 31.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.836 0.818 . . . . 27.13 110.155 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 42.7 mt-10 -120.63 136.69 54.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.85 0.357 . . . . 26.95 110.845 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 54.9 ttp -104.82 124.58 49.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.737 -0.838 . . . . 25.77 108.737 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.604 ' HD2' HG22 ' A' ' 92' ' ' VAL . 87.8 mttt -142.07 153.5 44.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.399 -0.593 . . . . 28.73 109.399 -176.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.5 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 89.9 m-85 -118.43 159.15 23.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.034 0.445 . . . . 29.77 111.605 -175.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.7 p -95.99 170.48 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.439 -0.948 . . . . 32.42 108.439 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -77.02 14.21 0.91 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.174 0.511 . . . . 34.47 111.509 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -121.28 2.83 10.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 35.43 110.13 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.19 19.68 62.17 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.682 -0.77 . . . . 31.32 112.29 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.68 143.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.59 -0.522 . . . . 32.2 109.59 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.5 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 9.5 ttt180 -98.62 131.15 45.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.928 -0.578 . . . . 28.83 111.232 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -138.97 151.52 46.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.048 -0.723 . . . . 30.27 109.048 173.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -114.22 146.28 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.019 0.437 . . . . 28.69 110.467 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.604 HG22 ' HD2' ' A' ' 82' ' ' LYS . 47.5 t -115.73 110.57 32.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.804 -0.635 . . . . 29.45 111.022 -176.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.78 87.09 2.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 107.181 -1.415 . . . . 29.7 107.181 173.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -75.22 -2.25 27.11 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.996 -0.44 . . . . 29.9 111.442 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -76.14 -42.17 47.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 31.42 109.815 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.1 p -104.77 -13.46 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.471 . . . . 33.14 110.172 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 66.09 69.58 0.44 Allowed 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 114.849 -1.068 . . . . 35.9 111.036 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -142.4 156.09 45.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 113.704 -1.589 . . . . 32.79 109.509 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.7 p -107.56 142.78 36.95 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.797 -0.361 . . . . 32.98 110.858 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -150.36 158.7 44.44 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.567 0.223 . . . . 31.05 110.654 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -108.94 108.48 19.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.143 -0.317 . . . . 32.23 110.143 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -139.36 99.9 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.423 -0.353 . . . . 28.42 111.594 -178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 0.4 OUTLIER -97.34 148.02 33.81 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.875 -0.416 . . . . 27.97 109.875 175.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 16.6 Cg_exo -63.51 -30.7 71.58 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.993 2.462 . . . . 26.03 113.774 -175.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -97.75 134.59 22.19 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 120.712 -0.395 . . . . 27.8 111.429 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -69.51 119.25 6.24 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.702 1.602 . . . . 29.23 111.149 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.22 -30.58 3.3 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.187 -0.53 . . . . 30.74 112.593 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.7 t80 58.3 31.58 21.03 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.839 0.352 . . . . 30.1 110.594 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.179 -0.915 . . . . 32.01 110.485 178.823 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.756 -0.538 . . . . 5.35 111.756 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.446 ' O ' HG13 ' A' ' 24' ' ' VAL . 10.7 t -93.88 136.28 34.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.826 0.346 . . . . 2.67 110.34 -178.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -91.49 120.15 32.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.098 -0.705 . . . . 3.19 109.098 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ptp -108.32 138.22 44.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.383 0.538 . . . . 2.57 109.831 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -70.27 135.11 48.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 1.99 111.545 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 9.3 m-85 -124.96 154.63 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.563 -0.744 . . . . 1.38 109.183 176.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.703 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.4 ptpt -137.12 153.6 50.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.719 0.295 . . . . 3.1 111.254 -178.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.624 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.8 tp -141.1 138.64 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.637 -0.71 . . . . 1.12 110.483 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.4 mt -119.64 124.29 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 108.724 -0.843 . . . . 1.31 108.724 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.76 105.64 17.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.224 -0.658 . . . . 1.03 109.224 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -101.65 86.29 2.91 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 120.189 -0.605 . . . . 1.96 109.604 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.597 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -142.43 123.51 2.19 Favored Glycine 0 C--O 1.218 -0.854 0 N-CA-C 109.45 -1.46 . . . . 0.91 109.45 176.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -41.18 -42.44 2.06 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.705 1.002 . . . . 3.78 113.705 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -79.36 -31.61 42.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.168 -0.332 . . . . 2.46 111.885 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -133.62 106.79 7.6 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.139 -0.351 . . . . 2.37 110.831 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 10.3 mtmm -126.36 128.75 47.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.091 0.472 . . . . 3.04 110.955 -177.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.89 -169.17 40.98 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.49 110.991 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.93 163.59 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.217 0.509 . . . . 1.69 111.054 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -161.44 164.36 29.85 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.529 -0.545 . . . . 1.15 109.529 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.1 p -128.82 158.41 38.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.574 0.226 . . . . 1.09 111.231 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 t -156.22 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.987 -0.745 . . . . 1.07 108.987 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -102.46 138.03 39.91 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.958 -0.386 . . . . 2.26 109.958 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.52 162.06 41.35 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 110.361 -0.237 . . . . 1.13 110.361 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.446 HG13 ' O ' ' A' ' 2' ' ' SER . 30.1 m -101.51 -9.71 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.302 0.482 . . . . 1.73 112.302 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.444 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 19.6 m-20 -137.19 153.15 50.5 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.994 -0.373 . . . . 2.13 109.994 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.82 -39.71 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.38 . . . . 1.32 110.791 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.63 -35.36 80.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 1.21 111.009 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 5.2 m -67.48 -33.0 74.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 1.15 111.06 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -33.4 70.31 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.51 0.672 . . . . 1.09 109.267 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -67.36 -55.81 12.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.851 -1.068 . . . . 1.29 109.515 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 27.4 mmmt -51.06 -43.11 60.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.828 -0.624 . . . . 2.94 112.531 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.62 -50.44 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.733 0.302 . . . . 1.1 111.436 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.551 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 6.5 m-85 -66.75 -22.98 66.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.938 0.347 . . . . 1.92 111.938 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 37.6 mtpt -70.78 -43.17 69.27 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.093 -0.336 . . . . 1.69 110.093 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.58 -31.11 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.053 -0.721 . . . . 2.5 109.053 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.551 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 19.2 t80 -66.93 -47.89 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.836 -1.074 . . . . 2.13 110.551 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.18 65.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.009 -0.541 . . . . 1.06 110.43 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -61.96 -45.35 94.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.412 -0.813 . . . . 2.14 110.032 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.2 -24.05 67.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.927 -0.579 . . . . 1.78 111.099 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -94.74 -7.35 40.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 1.78 110.798 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.84 27.93 61.81 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.027 -0.606 . . . . 0.44 113.151 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.22 120.48 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.105 -0.702 . . . . 1.12 109.105 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.02 98.51 3.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.458 -0.792 . . . . 1.86 109.008 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.81 -169.32 16.51 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.768 -0.533 . . . . 0.63 111.768 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.24 144.88 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.697 0.284 . . . . 2.79 111.247 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.582 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.0 m95 -114.14 116.1 28.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.934 -0.575 . . . . 0.41 111.45 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 p -109.89 158.95 17.66 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.892 -0.595 . . . . 1.25 109.826 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -151.9 140.17 20.39 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.993 -0.283 . . . . 1.95 111.092 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.688 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.2 p30 -112.3 150.44 30.98 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.512 -0.921 . . . . 2.07 108.512 176.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.9 -60.5 2.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.283 0.845 . . . . 2.28 113.283 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.86 88.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.497 0.925 . . . . 1.42 113.497 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -99.67 -8.09 24.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.314 0.857 . . . . 1.95 113.314 -175.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 56.38 40.2 29.81 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.134 0.493 . . . . 2.56 111.266 177.419 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.703 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.0 m -90.05 107.76 19.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.018 -0.537 . . . . 1.17 111.372 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.624 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 29.9 m-85 -83.9 128.29 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.698 -0.853 . . . . 1.98 108.698 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.1 m -125.79 121.46 33.38 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.794 -0.362 . . . . 1.44 110.711 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -104.12 112.59 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.479 -0.934 . . . . 1.15 108.479 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.5 m -108.25 124.31 50.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.536 -0.756 . . . . 1.14 111.246 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.2 147.0 53.35 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.912 -0.586 . . . . 2.56 110.037 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.45 -161.47 33.18 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.466 -0.873 . . . . 2.32 111.392 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 p -143.13 -57.36 0.42 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.848 0.356 . . . . 4.8 111.405 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.54 72.38 1.28 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.094 -1.05 . . . . 4.49 110.96 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.34 -25.12 74.85 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.383 -0.437 . . . . 6.24 112.721 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 65.19 -167.77 0.21 Allowed 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.9 0.48 . . . . 6.72 110.898 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.75 60.3 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.347 -0.93 . . . . 8.41 112.499 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.41 27.34 11.62 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.759 -0.734 . . . . 10.44 112.555 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -92.49 -75.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.893 0.378 . . . . 12.73 110.68 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.5 -158.87 27.9 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.02 -0.609 . . . . 11.72 111.78 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.6 ptm -146.88 86.05 1.64 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.422 0.629 . . . . 14.76 111.488 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.5 mm -133.25 84.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.998 -0.741 . . . . 14.51 108.998 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.45 13.64 5.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 16.8 111.768 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -104.76 143.43 26.69 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.447 -0.575 . . . . 17.64 109.447 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.06 174.98 8.12 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.839 2.359 . . . . 20.73 113.571 -176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.04 167.1 31.45 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.781 -1.099 . . . . 20.94 110.13 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.34 157.0 34.61 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.218 -0.446 . . . . 23.39 109.969 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.756 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 3.0 Cg_exo -76.69 173.28 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.057 1.838 . . . . 23.54 110.35 178.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 65.8 Cg_endo -64.42 128.37 21.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.615 2.21 . . . . 25.03 111.637 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -8.91 61.79 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 120.459 -0.877 . . . . 26.59 114.612 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.756 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.0 m95 -98.3 114.63 27.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.707 1.254 . . . . 27.13 111.161 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.609 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 49.3 mt-10 -105.65 142.68 34.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.419 -0.585 . . . . 26.95 109.419 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -134.85 134.74 41.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.281 -0.266 . . . . 25.77 110.281 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -160.76 157.01 26.16 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.842 -0.429 . . . . 28.73 109.842 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -102.29 148.76 25.07 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.66 -0.246 . . . . 29.77 110.675 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 p -86.96 -178.35 6.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.248 -0.433 . . . . 32.42 110.441 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p -65.26 -38.38 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.409 0.522 . . . . 34.47 112.409 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.05 9.45 14.67 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.812 0.339 . . . . 35.43 111.27 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.25 14.87 67.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.006 -0.616 . . . . 31.32 113.763 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.7 t -86.75 134.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.985 0.393 . . . . 32.2 110.236 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.498 HH21 ' HZ ' ' A' ' 91' ' ' PHE . 48.5 ttt180 -93.35 127.42 38.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.969 -0.559 . . . . 28.83 110.448 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -132.73 155.27 49.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.396 -0.522 . . . . 30.27 110.245 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.498 ' HZ ' HH21 ' A' ' 89' ' ' ARG . 19.5 m-85 -114.43 146.63 40.38 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.203 0.525 . . . . 28.69 110.971 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.609 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.4 t -120.22 103.83 14.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.347 -0.842 . . . . 29.45 110.042 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.473 ' HB2' ' HG1' ' A' ' 98' ' ' THR . 8.2 m-20 -74.7 92.47 2.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.625 -1.25 . . . . 29.7 107.625 176.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -71.84 -13.01 61.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.958 0.409 . . . . 29.9 110.599 -175.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -74.4 -33.92 63.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 31.42 110.329 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.2 p -112.38 -10.02 13.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.591 0.234 . . . . 33.14 111.293 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 62.31 72.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.084 0.945 . . . . 35.9 110.654 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.473 ' HG1' ' HB2' ' A' ' 93' ' ' ASP . 1.4 p -149.9 156.56 41.98 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.173 -1.376 . . . . 32.79 110.043 -176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -112.56 126.62 55.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.588 -0.523 . . . . 32.98 109.588 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.7 t -132.09 156.18 46.79 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.109 0.481 . . . . 31.05 111.053 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -112.01 99.32 7.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.782 -0.644 . . . . 32.23 110.882 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -136.32 101.02 4.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.133 -0.691 . . . . 28.42 109.133 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -111.55 144.88 31.47 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.573 -0.74 . . . . 27.97 110.48 -177.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -64.19 -22.02 67.27 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.013 2.475 . . . . 26.03 113.787 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 139.91 84.92 Favored Pre-proline 0 CA--C 1.532 0.252 0 C-N-CA 120.266 -0.574 . . . . 27.8 109.859 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.77 118.83 5.92 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.037 1.825 . . . . 29.23 112.881 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.43 -30.63 1.42 Allowed Glycine 0 CA--C 1.524 0.64 0 CA-C-O 119.423 -0.654 . . . . 30.74 113.769 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.9 t80 53.75 62.43 2.62 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.607 0.717 . . . . 30.1 109.332 -175.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.038 -0.982 . . . . 32.01 109.312 -178.773 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.772 -0.531 . . . . 5.35 111.772 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -93.6 -6.61 46.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.713 0.292 . . . . 2.67 111.426 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -120.74 161.03 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.357 -0.238 . . . . 3.19 110.357 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.8 mtp -121.19 137.37 54.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.183 -1.043 . . . . 2.57 108.183 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -83.78 116.14 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 1.99 111.121 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.439 ' CE1' ' HE3' ' A' ' 53' ' ' LYS . 59.3 m-85 -107.91 156.67 18.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.829 -0.623 . . . . 1.38 109.366 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 8.8 ptpp? -134.01 155.19 50.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.303 -0.408 . . . . 3.1 111.59 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.55 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.6 tp -136.52 145.03 44.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 1.12 110.084 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.471 HG12 ' HG2' ' A' ' 18' ' ' GLU . 82.8 mt -124.09 123.35 66.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.082 -0.71 . . . . 1.31 109.082 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.4 mm? -92.15 104.57 16.94 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.304 -0.628 . . . . 1.03 109.304 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 6.7 m120 -95.18 85.22 4.24 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.784 -0.821 . . . . 1.96 108.784 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.78 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -144.42 144.23 13.09 Favored Glycine 0 C--O 1.222 -0.618 0 CA-C-N 115.786 -0.643 . . . . 0.91 112.406 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -49.38 -45.65 46.24 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.41 0.684 . . . . 3.78 112.564 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -104.92 8.7 34.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.379 . . . . 2.46 111.056 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.05 95.58 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.983 -0.747 . . . . 2.37 108.983 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.78 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 88.7 mttt -133.52 111.15 10.46 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.687 -0.688 . . . . 3.04 109.993 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.36 -172.4 44.84 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.496 -1.042 . . . . 0.49 110.496 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.471 ' HG2' HG12 ' A' ' 9' ' ' ILE . 27.4 mt-10 -135.27 167.08 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.25 0.525 . . . . 1.69 110.658 -178.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.437 HG23 ' CE2' ' A' ' 36' ' ' TYR . 15.3 t -159.41 161.41 35.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.648 . . . . 1.15 109.249 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -138.1 159.18 42.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.988 0.423 . . . . 1.09 111.672 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -159.32 156.56 28.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.734 -0.666 . . . . 1.07 109.247 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.73 124.5 48.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.064 0.459 . . . . 2.26 109.852 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.82 157.55 46.49 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.957 -0.386 . . . . 1.13 109.957 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 -25.76 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 111.595 0.22 . . . . 1.73 111.595 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -135.95 158.17 45.05 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.871 -0.418 . . . . 2.13 109.871 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.02 65.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.562 -0.29 . . . . 1.32 111.047 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.97 74.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.078 0.466 . . . . 1.21 110.384 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 32' ' ' VAL . 4.3 m -73.41 -28.88 62.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.462 -0.79 . . . . 1.15 110.454 178.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.03 -37.76 64.23 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.163 -0.472 . . . . 1.09 110.193 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.29 -57.98 8.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.72 -0.673 . . . . 1.29 109.464 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 29.8 mmtp -48.71 -45.22 38.98 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.977 -1.011 . . . . 2.94 113.362 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 28' ' ' THR . 92.6 t -68.21 -45.5 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 121.187 -0.205 . . . . 1.1 111.193 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.609 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.3 m-85 -71.0 -16.88 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.891 -0.323 . . . . 1.92 111.475 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -67.83 -44.53 77.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.502 -0.555 . . . . 1.69 109.502 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.3 tp60 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 2.5 109.231 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.609 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 33.8 t80 -68.26 -48.18 65.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.025 -0.989 . . . . 2.13 110.419 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.7 -32.18 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 1.06 110.039 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.47 -41.62 98.91 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.689 -0.687 . . . . 2.14 109.598 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.23 -20.1 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.351 -0.84 . . . . 1.78 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -93.63 -12.53 29.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.528 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.87 29.62 41.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.162 -0.542 . . . . 0.44 113.135 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.15 116.73 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 117.611 0.706 . . . . 1.12 111.064 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -114.36 132.53 56.17 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.272 -1.01 . . . . 1.86 108.272 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.02 -175.23 47.15 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.801 -1.19 . . . . 0.63 112.772 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -72.65 150.96 42.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.985 0.421 . . . . 2.79 110.499 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -111.71 103.99 12.31 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.785 -0.643 . . . . 0.41 110.803 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -104.63 155.19 19.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 1.25 109.927 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -148.22 149.75 32.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 1.95 110.864 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -129.62 131.16 46.39 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.354 -0.98 . . . . 2.07 108.354 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.99 -22.1 31.49 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.266 -0.271 . . . . 2.28 111.569 -173.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.44 -36.78 57.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.855 0.36 . . . . 1.42 111.245 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.514 ' CB ' ' HG1' ' A' ' 54' ' ' THR . 29.2 p -99.59 -17.45 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.362 0.504 . . . . 1.95 112.362 -178.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' HE3' ' CE1' ' A' ' 6' ' ' TYR . 28.0 mmmt 61.35 47.8 6.57 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.664 -0.865 . . . . 2.56 108.664 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.572 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 9.8 m -117.42 124.77 49.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.706 -1.134 . . . . 1.17 112.029 -174.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.4 m-85 -95.48 130.1 42.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.674 -0.862 . . . . 1.98 108.674 173.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -124.56 124.09 41.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.087 -0.383 . . . . 1.44 110.941 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -107.47 109.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.26 -1.015 . . . . 1.15 108.26 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.41 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 5.4 m -97.99 118.15 33.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.977 -0.556 . . . . 1.14 111.048 -175.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -74.7 88.75 2.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.723 -0.671 . . . . 2.56 109.458 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.42 128.91 4.86 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.823 -0.703 . . . . 2.32 111.639 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 m -148.79 20.54 1.01 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.971 0.415 . . . . 4.8 110.232 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -140.09 85.72 0.21 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.246 -0.978 . . . . 4.49 112.844 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.57 -29.07 74.16 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 110.644 -0.983 . . . . 6.24 110.644 175.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.32 136.88 15.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.41 -0.959 . . . . 6.72 108.41 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.71 103.12 0.18 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 119.752 -1.213 . . . . 8.41 112.981 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.09 -38.67 3.74 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.915 -0.874 . . . . 10.44 110.915 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 63.42 17.35 10.24 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.303 0.641 . . . . 12.73 110.783 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.44 82.81 0.16 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.623 -0.798 . . . . 11.72 113.091 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.599 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 27.8 ttt -145.95 69.55 1.22 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.402 -0.592 . . . . 14.76 109.402 177.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.599 ' HB ' ' O ' ' A' ' 69' ' ' MET . 12.3 tt 160.92 9.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 114.822 -1.081 . . . . 14.51 108.75 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -103.71 21.73 15.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.24 -1.022 . . . . 16.8 108.24 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.02 157.67 51.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.216 -1.356 . . . . 17.64 109.34 -175.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.92 150.36 26.76 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.489 2.126 . . . . 20.73 111.045 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.35 -167.97 1.58 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.917 -0.583 . . . . 20.94 110.332 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.405 ' H ' HD23 ' A' ' 75' ' ' LEU . 3.2 mm? -61.81 130.53 92.48 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.106 -0.497 . . . . 23.39 110.006 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.28 150.63 83.87 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.383 2.055 . . . . 23.54 111.966 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -49.5 120.43 5.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.717 2.278 . . . . 25.03 111.95 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.13 -29.53 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.297 -0.954 . . . . 26.59 113.134 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -90.07 126.0 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 117.507 0.654 . . . . 27.13 110.325 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.3 150.15 45.74 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 122.103 -0.373 . . . . 26.95 110.054 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -128.14 127.37 42.86 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.312 -0.625 . . . . 25.77 109.312 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -141.12 160.28 40.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.441 -0.577 . . . . 28.73 109.441 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -112.26 149.16 32.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.617 0.246 . . . . 29.77 110.889 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.448 ' HG1' ' HB ' ' A' ' 88' ' ' VAL . 29.9 p -83.45 178.86 7.84 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.661 -0.866 . . . . 32.42 108.661 175.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 m -68.64 -11.52 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.66 0.985 . . . . 34.47 113.66 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 7.9 15.0 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.886 0.374 . . . . 35.43 111.2 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.91 63.65 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.14 -1.029 . . . . 31.32 112.982 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.448 ' HB ' ' HG1' ' A' ' 84' ' ' THR . 93.3 t -64.11 132.94 30.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.607 -0.886 . . . . 32.2 108.607 177.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -104.69 145.07 30.87 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.808 0.337 . . . . 28.83 111.567 -175.466 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -138.56 155.16 48.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.245 -0.65 . . . . 30.27 109.245 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.777 ' CD2' ' HA ' ' A' ' 102' ' ' LYS . 69.3 m-85 -107.86 155.5 20.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 120.419 -0.512 . . . . 28.69 110.089 178.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.5 102.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.942 -0.572 . . . . 29.45 110.266 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.35 86.31 1.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.186 -1.042 . . . . 29.7 108.186 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -70.71 -14.91 62.63 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.205 -0.309 . . . . 29.9 111.63 -174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.606 HD21 ' N ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -82.65 -17.79 43.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.789 0.292 . . . . 31.42 111.789 179.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.606 ' N ' HD21 ' A' ' 95' ' ' ASN . 2.6 p -120.85 -1.61 9.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.72 0.295 . . . . 33.14 110.684 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 56.74 67.01 1.05 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.974 0.892 . . . . 35.9 111.182 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 t -159.74 170.58 21.22 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.326 -1.306 . . . . 32.79 109.968 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 p -124.51 101.52 7.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.199 -0.455 . . . . 32.98 110.761 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 t -89.96 159.59 16.83 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.796 -0.446 . . . . 31.05 109.796 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -84.45 143.94 29.07 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 119.491 -0.884 . . . . 32.23 110.823 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.777 ' HA ' ' CD2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -54.35 137.03 42.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.631 1.715 . . . . 28.42 115.631 -173.589 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -123.2 144.04 42.53 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 113.724 -1.58 . . . . 27.97 107.339 169.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -57.29 -27.36 74.86 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 122.613 2.209 . . . . 26.03 112.603 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -111.34 109.51 56.37 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-O 119.623 -0.227 . . . . 27.8 110.5 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.72 123.29 11.98 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 122.175 1.916 . . . . 29.23 112.544 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.25 -36.45 3.56 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-O 119.716 -0.491 . . . . 30.74 112.022 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.4 p90 39.15 32.17 0.07 Allowed 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 113.975 1.102 . . . . 30.1 113.975 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 119.008 -0.52 . . . . 32.01 110.243 178.565 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.361 -0.696 . . . . 5.35 111.361 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m -107.95 17.75 22.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.087 0.47 . . . . 2.67 110.351 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 39.3 m170 -120.16 162.24 19.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.019 -0.537 . . . . 3.19 110.983 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.5 mtp -111.6 138.84 47.61 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.343 -0.984 . . . . 2.57 108.343 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -80.35 118.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.858 0.361 . . . . 1.99 111.271 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 54.6 m-85 -120.03 139.18 52.92 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.139 -0.689 . . . . 1.38 109.139 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HB3' HG21 ' A' ' 20' ' ' THR . 14.8 ptpt -122.69 158.43 30.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.32 0.581 . . . . 3.1 111.43 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -139.49 137.55 35.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.961 -1.018 . . . . 1.12 110.159 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.5 mt -116.37 122.38 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.155 -0.683 . . . . 1.31 109.155 177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -92.88 107.91 19.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 109.142 -0.688 . . . . 1.03 109.142 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.36 85.88 2.56 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.886 -1.154 . . . . 1.96 107.886 177.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.649 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.33 139.17 7.13 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.488 -0.778 . . . . 0.91 111.544 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 11.3 mmmm -47.73 -31.63 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.733 0.813 . . . . 3.78 112.763 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 p -80.19 -33.25 38.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 2.46 111.783 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -150.97 112.7 4.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.459 -0.337 . . . . 2.37 111.037 -176.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 1.5 mtmt -122.18 111.9 17.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 3.04 109.96 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.64 -171.72 43.98 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.305 -1.118 . . . . 0.49 110.305 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.66 157.39 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.49 0.645 . . . . 1.69 111.693 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -155.22 179.63 8.97 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.138 -0.483 . . . . 1.15 110.568 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.527 HG21 ' HB3' ' A' ' 7' ' ' LYS . 52.8 p -133.69 157.7 45.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 111.999 0.37 . . . . 1.09 111.999 -177.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -146.14 156.71 43.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.788 -0.819 . . . . 1.07 108.788 175.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 49.0 mt-10 -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.651 -0.249 . . . . 2.26 110.497 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.66 158.48 43.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.696 -0.483 . . . . 1.13 109.696 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -103.3 6.83 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 117.787 0.267 . . . . 1.73 111.557 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -153.12 156.9 39.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.717 0.294 . . . . 2.13 110.558 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.77 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.905 -0.589 . . . . 1.32 111.139 -177.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.67 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.04 0.448 . . . . 1.21 110.256 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -64.12 -29.85 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.524 -0.762 . . . . 1.15 110.395 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.22 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.195 0.521 . . . . 1.09 109.965 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.22 -56.9 12.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.917 -1.038 . . . . 1.29 109.894 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -48.57 -44.54 36.75 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.131 -0.94 . . . . 2.94 113.487 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -66.68 -47.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.706 0.289 . . . . 1.1 111.413 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.46 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.6 m-85 -66.65 -20.93 66.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.579 -0.282 . . . . 1.92 111.289 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 34' ' ' LYS . 11.1 mtpt -68.76 -41.17 79.23 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.658 -0.497 . . . . 1.69 109.658 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -70.39 -33.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.873 -0.788 . . . . 2.5 108.873 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.46 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 38.1 t80 -65.75 -50.28 65.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.784 -1.098 . . . . 2.13 110.946 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.52 -33.64 71.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.094 0.473 . . . . 1.06 110.285 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -56.53 -57.0 14.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.081 -0.963 . . . . 2.14 111.517 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -17.86 64.07 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.183 0.438 . . . . 1.78 112.183 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -86.54 -13.6 45.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.994 0.426 . . . . 1.78 110.278 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.23 28.81 26.89 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.543 -0.753 . . . . 0.44 112.584 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.33 114.59 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 120.979 0.418 . . . . 1.12 110.388 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -144.14 97.01 2.98 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.74 0.781 . . . . 1.86 109.448 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -132.74 -166.93 11.62 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.463 -1.055 . . . . 0.63 110.463 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.602 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 13.4 pt-20 -53.45 133.43 40.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.789 0.328 . . . . 2.79 110.169 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -108.9 118.49 36.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.486 -0.325 . . . . 0.41 110.626 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.463 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 25.6 p -126.36 149.03 49.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.157 -0.474 . . . . 1.25 110.703 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -141.23 137.56 32.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.95 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -121.85 135.66 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.906 -1.146 . . . . 2.07 107.906 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -87.9 -10.26 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 2.28 110.984 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.14 -36.57 64.16 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.64 -0.424 . . . . 1.42 110.837 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -109.69 -15.12 14.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.677 0.621 . . . . 1.95 112.677 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.404 ' HG3' ' CE1' ' A' ' 6' ' ' TYR . 14.1 mptt 64.9 34.58 9.02 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.282 0.563 . . . . 2.56 110.23 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.7 m -101.9 119.02 38.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 1.17 112.07 -178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.512 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 37.2 m-85 -89.72 127.73 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.202 -1.036 . . . . 1.98 108.202 171.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.463 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 12.7 m -120.09 118.26 30.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.12 -0.491 . . . . 1.44 110.844 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.403 ' O ' HG11 ' A' ' 57' ' ' VAL . 14.4 p -113.86 110.83 33.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.458 0.647 . . . . 1.15 109.324 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.602 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 25.0 m -109.83 122.73 48.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.762 -0.653 . . . . 1.14 111.812 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -66.12 153.16 43.09 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.075 -0.512 . . . . 2.56 110.401 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -163.21 146.99 12.33 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 111.374 -0.691 . . . . 2.32 111.374 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.6 m -148.94 -67.96 0.22 Allowed 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.667 -0.314 . . . . 4.8 111.01 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.1 -167.45 34.37 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.753 -0.737 . . . . 4.49 111.738 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.35 -40.59 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.767 -0.73 . . . . 6.24 112.346 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 57.57 31.08 19.77 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.659 0.384 . . . . 6.72 111.842 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.73 159.94 28.46 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.871 -0.681 . . . . 8.41 112.77 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.87 8.25 29.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.665 -0.778 . . . . 10.44 112.322 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 65.95 24.19 11.18 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.059 0.544 . . . . 12.73 111.127 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.15 170.09 11.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.503 -0.856 . . . . 11.72 112.939 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.2 54.88 0.79 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.483 0.659 . . . . 14.76 109.868 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.4 mt -102.28 77.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.492 -0.776 . . . . 14.51 109.068 -176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -107.85 11.74 27.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.656 0.741 . . . . 16.8 110.061 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -93.25 147.32 33.55 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.03 -0.986 . . . . 17.64 110.044 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.03 174.49 10.53 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.318 2.012 . . . . 20.73 111.924 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.66 167.99 27.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.955 -0.566 . . . . 20.94 110.985 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.58 146.83 84.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.041 -0.527 . . . . 23.39 109.696 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 17.1 Cg_exo -69.6 147.89 64.92 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.938 1.759 . . . . 23.54 111.02 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -47.09 125.23 9.92 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.797 2.331 . . . . 25.03 112.052 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.61 -26.42 24.02 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.662 -0.78 . . . . 26.59 112.999 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.514 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.5 m95 -91.7 142.67 27.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.109 0.455 . . . . 27.13 110.552 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.608 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 9.6 tp10 -128.75 156.72 43.08 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.91 -0.774 . . . . 26.95 108.91 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.49 ' SD ' ' HD2' ' A' ' 89' ' ' ARG . 14.9 tmm? -138.33 120.6 15.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.188 -0.301 . . . . 25.77 110.188 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -141.52 163.29 33.33 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 109.85 -0.426 . . . . 28.73 109.85 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -107.58 158.57 17.13 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.648 0.261 . . . . 29.77 111.278 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.5 p -86.44 -161.54 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.041 -0.527 . . . . 32.42 109.674 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 p -85.48 -4.66 59.23 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.423 0.527 . . . . 34.47 112.423 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -120.81 14.0 11.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.903 0.382 . . . . 35.43 111.466 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.92 15.56 64.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 31.32 113.656 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.25 126.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.191 0.496 . . . . 32.2 109.937 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.49 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 1.3 ttt180 -89.18 127.38 35.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.77 -0.65 . . . . 28.83 111.847 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -122.34 153.26 39.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.891 -0.595 . . . . 30.27 109.726 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.486 ' HD2' ' H ' ' A' ' 102' ' ' LYS . 69.2 m-85 -98.1 144.47 27.56 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.129 -0.693 . . . . 28.69 109.129 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.608 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 48.2 t -127.66 112.64 28.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 29.45 111.258 -172.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.18 78.44 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.336 -0.616 . . . . 29.7 109.336 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -52.07 -20.25 2.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.092 0.557 . . . . 29.9 111.552 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -79.45 -31.0 42.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.105 -0.498 . . . . 31.42 112.005 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.6 p -117.05 -5.62 11.41 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 33.14 111.229 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 61.01 76.93 0.35 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.549 -0.751 . . . . 35.9 111.072 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.91 158.83 39.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.411 -1.268 . . . . 32.79 110.221 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.6 p -116.19 136.82 52.67 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.68 -0.489 . . . . 32.98 109.68 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -150.43 148.77 29.16 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.456 -0.498 . . . . 31.05 111.086 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -108.51 98.69 8.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.05 -0.523 . . . . 32.23 110.04 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.486 ' H ' ' HD2' ' A' ' 91' ' ' PHE . 30.3 mtpp -91.81 88.59 6.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.148 -0.686 . . . . 28.42 109.148 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -94.59 132.71 28.14 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.514 -0.766 . . . . 27.97 109.604 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.421 ' HG2' ' HD3' ' A' ' 105' ' ' ARG . 55.8 Cg_endo -71.18 -13.01 30.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.68 2.253 . . . . 26.03 113.012 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.421 ' HD3' ' HG2' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -99.57 109.72 56.19 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 119.456 -0.307 . . . . 27.8 110.238 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -53.28 118.34 4.74 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.551 1.5 . . . . 29.23 111.414 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.94 -22.1 2.44 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.931 -0.652 . . . . 30.74 113.48 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.5 p90 41.78 39.84 1.32 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.978 0.911 . . . . 30.1 112.671 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.378 -0.82 . . . . 32.01 109.131 177.411 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 112.438 -0.265 . . . . 5.35 112.438 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.501 ' O ' HG13 ' A' ' 24' ' ' VAL . 8.2 m -96.78 6.1 49.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 2.67 110.761 -177.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -112.34 161.83 16.22 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.287 -0.264 . . . . 3.19 110.287 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.6 tpt -138.61 171.52 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.6 -0.889 . . . . 2.57 108.6 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -105.2 120.04 40.54 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.147 -0.478 . . . . 1.99 110.909 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -114.87 138.29 50.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.452 -0.944 . . . . 1.38 108.452 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -123.02 163.38 20.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.224 0.535 . . . . 3.1 111.317 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.463 HD11 ' O ' ' A' ' 55' ' ' TYR . 14.8 tp -140.53 144.05 35.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.227 -0.897 . . . . 1.12 109.481 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.764 HG12 ' HG2' ' A' ' 18' ' ' GLU . 96.7 mt -119.01 123.09 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.043 -0.725 . . . . 1.31 109.043 177.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.85 95.02 9.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.27 -0.641 . . . . 1.03 109.27 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.404 ' HB2' HG21 ' A' ' 58' ' ' THR . 80.6 m-20 -87.85 81.75 7.48 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 107.689 -1.226 . . . . 1.96 107.689 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.31 129.0 4.03 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.233 -1.147 . . . . 0.91 110.233 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -55.26 -20.02 9.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.525 0.565 . . . . 3.78 112.525 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 p -79.88 -48.36 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.064 0.459 . . . . 2.46 110.73 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tp -140.29 113.34 8.3 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.95 -0.568 . . . . 2.37 110.312 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.3 mppt? -111.66 125.58 54.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.678 -0.49 . . . . 3.04 109.678 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.47 -169.66 41.38 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.568 -0.825 . . . . 0.49 112.097 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.764 ' HG2' HG12 ' A' ' 9' ' ' ILE . 43.0 mt-10 -137.64 167.63 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 1.69 110.564 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.466 HG22 ' CE1' ' A' ' 36' ' ' TYR . 14.5 t -159.78 166.05 31.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 1.15 110.072 177.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -136.94 159.98 40.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.691 0.281 . . . . 1.09 111.282 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -159.8 155.86 26.53 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.324 -0.398 . . . . 1.07 110.224 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -91.68 128.85 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.021 -0.733 . . . . 2.26 109.021 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.16 154.15 37.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.583 -0.447 . . . . 1.13 110.382 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 2' ' ' SER . 27.9 m -106.05 2.78 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.743 0.306 . . . . 1.73 111.585 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.423 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 11.8 m-20 -145.98 156.53 43.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.158 -0.682 . . . . 2.13 109.158 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.35 -40.18 27.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.446 -0.575 . . . . 1.32 109.446 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.14 90.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.807 -0.633 . . . . 1.21 111.114 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.423 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 6.0 m -67.88 -29.2 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 1.15 110.666 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.9 62.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.794 -0.447 . . . . 1.09 109.794 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 13.2 tt0 -61.1 -57.99 10.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.628 -0.714 . . . . 1.29 109.886 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.3 -43.71 61.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.823 0.675 . . . . 2.94 112.823 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 28' ' ' THR . 63.8 t -71.03 -49.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.724 0.297 . . . . 1.1 111.121 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.478 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.7 m-30 -66.78 -20.0 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 1.92 111.932 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 34.0 mtpt -73.16 -41.76 63.55 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.83 -0.348 . . . . 1.69 110.101 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -65.69 -32.53 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.91 -0.774 . . . . 2.5 108.91 174.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.478 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 18.0 t80 -65.1 -50.19 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.764 -1.107 . . . . 2.13 110.428 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.93 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.655 -0.702 . . . . 1.06 110.271 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.56 -42.65 92.91 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.346 -0.843 . . . . 2.14 111.252 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -25.79 66.38 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.114 0.483 . . . . 1.78 111.177 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -102.72 1.59 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 1.78 111.197 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.51 29.09 64.32 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.054 -0.593 . . . . 0.44 113.296 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.3 116.11 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.868 0.366 . . . . 1.12 110.597 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -150.71 129.54 12.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.747 -0.661 . . . . 1.86 109.427 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' O ' ' HD1' ' A' ' 46' ' ' TRP . . . -170.28 -168.4 32.06 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.843 -0.903 . . . . 0.63 110.843 -174.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.9 128.79 28.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.005 0.431 . . . . 2.79 110.46 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.628 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.8 m95 -106.75 113.53 27.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.325 -0.852 . . . . 0.41 110.437 -177.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 p -124.71 158.46 33.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 1.25 110.791 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -139.17 152.87 47.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.235 . . . . 1.95 110.724 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.498 ' HB3' HG22 ' A' ' 52' ' ' THR . 2.8 t70 -133.3 114.97 14.36 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.974 -0.751 . . . . 2.07 108.974 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.09 -36.73 80.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.039 0.447 . . . . 2.28 111.415 -175.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.72 63.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.672 -0.695 . . . . 1.42 112.484 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 49' ' ' ASP . 12.8 t -130.13 3.9 4.81 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.826 1.047 . . . . 1.95 113.826 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 44.53 35.09 1.25 Allowed 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.253 0.549 . . . . 2.56 111.39 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -112.38 117.36 32.23 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.912 -0.585 . . . . 1.17 110.958 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.463 ' O ' HD11 ' A' ' 8' ' ' LEU . 17.2 m-85 -83.65 137.65 33.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 1.98 109.327 173.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.43 121.84 39.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.231 -0.44 . . . . 1.44 111.85 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -115.0 118.58 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.87 -1.53 . . . . 1.15 106.87 175.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.404 HG21 ' HB2' ' A' ' 11' ' ' ASN . 3.8 m -124.37 120.07 31.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.292 0.567 . . . . 1.14 112.18 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.04 154.45 40.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.743 -1.117 . . . . 2.56 109.879 175.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.36 -164.58 9.1 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 120.886 -0.673 . . . . 2.32 113.265 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 t -86.27 -173.01 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.006 0.432 . . . . 4.8 110.977 -177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -134.55 167.87 23.73 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.466 -0.654 . . . . 4.49 111.466 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.95 25.36 10.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.202 -0.999 . . . . 6.24 113.327 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.74 -78.98 0.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.217 0.508 . . . . 6.72 110.421 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.93 -68.78 3.43 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.177 -0.535 . . . . 8.41 113.398 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.83 -41.21 83.71 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.878 -0.677 . . . . 10.44 113.557 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -142.07 120.07 12.05 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.769 -0.456 . . . . 12.73 109.769 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.14 -170.99 47.55 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.796 -0.716 . . . . 11.72 113.185 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.783 ' HG2' ' H ' ' A' ' 70' ' ' ILE . 34.0 ttp -170.75 -151.36 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.62 -1.252 . . . . 14.76 107.62 -178.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.783 ' H ' ' HG2' ' A' ' 69' ' ' MET . 68.2 mt 77.33 85.29 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.453 0.644 . . . . 14.51 112.615 175.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -127.12 22.76 6.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.009 -1.848 . . . . 16.8 106.009 171.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -108.8 156.75 38.4 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 112.875 -1.966 . . . . 17.64 109.791 -176.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.8 151.73 36.33 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.21 1.94 . . . . 20.73 111.591 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.91 175.47 7.67 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.508 -0.769 . . . . 20.94 109.385 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 81' ' ' MET . 3.1 mm? -95.26 139.4 22.0 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.698 -0.482 . . . . 23.39 109.698 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.543 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 26.1 Cg_exo -64.17 160.96 35.86 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.186 1.924 . . . . 23.54 110.444 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -60.24 124.59 15.52 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.658 1.572 . . . . 25.03 110.817 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.93 -25.92 26.46 Favored Glycine 0 C--N 1.314 -0.686 0 C-N-CA 120.304 -0.95 . . . . 26.59 113.697 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.543 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -92.21 141.88 28.09 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 117.883 0.842 . . . . 27.13 111.739 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -129.07 148.89 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.568 -0.53 . . . . 26.95 109.568 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.496 ' HB2' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -123.28 131.23 53.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.522 -0.548 . . . . 25.77 109.522 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -150.45 156.39 41.37 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.735 -0.469 . . . . 28.73 109.735 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.467 ' CE1' ' HE2' ' A' ' 81' ' ' MET . 71.6 m-85 -111.86 151.83 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 110.391 -0.225 . . . . 29.77 110.391 178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.428 ' C ' ' H ' ' A' ' 86' ' ' GLU . 13.7 p -88.06 166.3 14.55 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.509 -1.293 . . . . 32.42 107.509 173.039 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 p -75.71 14.97 0.55 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.253 0.478 . . . . 34.47 111.759 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' A' ' 84' ' ' THR . 32.9 mt-10 -121.38 4.38 10.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 35.43 109.686 -178.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.04 15.42 72.42 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.586 -0.734 . . . . 31.32 112.913 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -88.76 138.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 32.2 110.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -96.02 114.99 26.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.858 -0.61 . . . . 28.83 110.96 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -127.03 157.45 39.57 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.646 -0.502 . . . . 30.27 109.646 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -123.32 159.9 27.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 28.69 110.66 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 49.0 t -129.31 125.87 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.396 . . . . 29.45 111.417 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.27 103.55 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.452 -1.314 . . . . 29.7 107.452 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -72.21 -14.14 61.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.513 0.597 . . . . 29.9 110.942 -175.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -76.98 -47.15 21.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.449 -0.341 . . . . 31.42 110.412 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.8 p -92.29 -16.87 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.591 0.234 . . . . 33.14 110.423 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 67.26 40.02 2.88 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.312 1.053 . . . . 35.9 109.862 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.0 p -113.99 156.75 23.49 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.467 -1.697 . . . . 32.79 110.438 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.8 p -106.33 126.8 52.69 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.801 -0.814 . . . . 32.98 108.801 176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 t -139.57 144.95 38.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.229 -0.588 . . . . 31.05 111.355 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -95.5 97.47 9.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.467 -0.938 . . . . 32.23 108.467 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -140.65 105.1 4.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.892 -0.595 . . . . 28.42 110.124 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -91.47 140.95 25.53 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 109.418 -0.586 . . . . 27.97 109.418 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.16 -23.55 74.11 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.43 2.087 . . . . 26.03 112.128 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.23 133.16 43.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.589 -0.523 . . . . 27.8 109.589 177.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.93 118.4 5.68 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 121.261 1.307 . . . . 29.23 111.611 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 78.73 -29.61 2.04 Favored Glycine 0 CA--C 1.526 0.719 0 CA-C-N 116.122 -0.49 . . . . 30.74 113.148 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.0 t80 47.66 68.17 0.7 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.29 0.636 . . . . 30.1 111.202 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.427 -0.797 . . . . 32.01 108.968 177.676 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.57 -0.612 . . . . 5.35 111.57 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -113.15 -48.93 2.94 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.225 0.536 . . . . 2.67 109.671 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -107.24 147.58 30.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.644 -0.873 . . . . 3.19 108.644 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mmm -110.01 138.18 46.75 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.754 -0.378 . . . . 2.57 110.194 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -80.47 116.37 20.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 1.99 110.634 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -102.63 146.87 27.54 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.717 -0.846 . . . . 1.38 108.717 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HD3' HG23 ' A' ' 54' ' ' THR . 56.6 tttm -117.11 140.84 49.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 3.1 111.084 -171.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 21.8 tp -124.48 144.57 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.736 -0.385 . . . . 1.12 110.285 174.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.4 mt -132.23 115.31 25.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.516 -0.766 . . . . 1.31 109.031 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.477 HD21 ' HE1' ' A' ' 36' ' ' TYR . 1.6 mm? -91.83 109.84 21.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.105 -0.702 . . . . 1.03 109.105 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -106.86 85.57 2.17 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.525 -0.917 . . . . 1.96 108.525 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.628 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -146.35 144.41 12.74 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.284 -0.871 . . . . 0.91 111.129 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.701 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 84.4 mttt -54.91 -25.37 28.74 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.857 0.863 . . . . 3.78 113.223 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 m -97.39 -40.52 8.67 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.29 -0.564 . . . . 2.46 110.549 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' A' ' 15' ' ' LEU . 2.7 mm? -122.3 100.48 6.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.734 0.302 . . . . 2.37 111.456 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -113.68 116.88 30.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.521 -0.918 . . . . 3.04 108.521 173.803 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.55 -167.71 38.89 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.499 -0.857 . . . . 0.49 111.801 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -139.88 175.28 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.073 0.464 . . . . 1.69 110.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -170.26 157.6 6.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.254 -0.884 . . . . 1.15 109.561 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -130.49 160.67 33.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.357 -0.383 . . . . 1.09 110.968 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -151.94 149.25 28.72 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.807 -0.442 . . . . 1.07 109.807 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.77 109.34 21.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.336 -0.616 . . . . 2.26 109.336 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.18 162.77 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.874 -0.417 . . . . 1.13 109.874 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -95.22 -46.82 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 O-C-N 122.226 -0.296 . . . . 1.73 111.572 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -103.29 156.94 17.36 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 122.076 -0.39 . . . . 2.13 110.54 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -72.47 -42.43 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 1.32 110.576 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.53 76.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.022 -0.535 . . . . 1.21 110.751 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -70.62 -31.42 68.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 1.15 110.452 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.93 -33.09 63.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.729 -0.669 . . . . 1.09 110.235 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -63.25 -53.7 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.326 -0.62 . . . . 1.29 109.326 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -46.63 -43.92 17.9 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.627 -0.715 . . . . 2.94 112.759 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.38 -47.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.728 0.299 . . . . 1.1 111.067 -175.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.478 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 12.6 m-85 -71.82 -16.11 62.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 1.92 111.782 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -70.26 -40.11 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.146 -0.687 . . . . 1.69 109.146 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.511 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 1.6 tp60 -69.12 -41.86 76.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.353 -0.981 . . . . 2.5 108.353 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.478 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 71.2 t80 -58.47 -54.35 48.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.863 -1.517 . . . . 2.13 111.238 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.33 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.207 0.527 . . . . 1.06 110.254 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.04 -31.5 67.97 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.791 -0.64 . . . . 2.14 109.7 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.66 -38.62 91.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.292 -0.867 . . . . 1.78 110.972 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.07 -16.39 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 1.78 111.132 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.96 33.68 17.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.635 -0.793 . . . . 0.44 113.462 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -97.08 115.42 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.235 0.54 . . . . 1.12 110.296 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -126.52 133.54 51.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.327 -0.852 . . . . 1.86 109.484 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 178.32 -170.91 43.2 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.833 -0.907 . . . . 0.63 110.833 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -58.84 133.59 56.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.141 0.496 . . . . 2.79 110.591 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -102.92 102.59 12.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.86 -0.609 . . . . 0.41 109.942 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.508 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 6.4 p -97.7 156.7 16.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.212 -0.449 . . . . 1.25 111.148 -178.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 17.2 t80 -151.28 147.97 27.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.774 -0.825 . . . . 1.95 108.774 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.29 150.37 42.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.678 -0.86 . . . . 2.07 108.678 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.55 -14.07 41.24 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 121.14 -0.224 . . . . 2.28 111.383 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.65 -44.81 13.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.461 0.541 . . . . 1.42 112.461 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 p -116.51 -2.27 12.04 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.72 1.007 . . . . 1.95 113.72 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.574 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER 58.85 42.09 20.34 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.869 0.843 . . . . 2.56 110.1 -178.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.439 HG23 ' HD3' ' A' ' 7' ' ' LYS . 24.7 m -93.34 124.03 37.04 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.722 -1.126 . . . . 1.17 110.429 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 40.2 m-85 -100.48 129.7 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.89 -0.782 . . . . 1.98 108.89 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.508 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 99.3 m -129.07 131.59 47.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 1.44 111.466 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.6 p -115.02 116.73 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.744 -0.836 . . . . 1.15 108.744 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.47 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 9.6 m -110.84 134.11 52.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.856 -0.611 . . . . 1.14 111.405 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.418 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 13.1 mt-10 -91.26 153.3 20.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.71 -0.478 . . . . 2.56 109.71 178.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.19 107.34 1.81 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.37 -0.692 . . . . 2.32 111.37 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -134.27 -42.96 0.79 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 110.0 -0.37 . . . . 4.8 110.0 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.22 99.49 0.29 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.369 -0.919 . . . . 4.49 112.656 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.49 29.99 11.21 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.635 -0.793 . . . . 6.24 111.889 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.03 147.46 24.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.694 0.283 . . . . 6.72 110.902 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.75 28.71 7.72 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.751 -0.738 . . . . 8.41 111.79 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.26 0.63 79.3 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.068 -0.587 . . . . 10.44 112.855 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -96.47 -67.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.639 -0.504 . . . . 12.73 109.639 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.65 -83.26 1.52 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.053 -0.594 . . . . 11.72 112.799 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.671 ' HE1' ' HG3' ' A' ' 72' ' ' GLU . 19.8 ptm -75.03 116.32 15.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.62 0.248 . . . . 14.76 111.278 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -141.29 -37.75 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.214 0.531 . . . . 14.51 110.005 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -85.39 20.34 2.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.32 -0.854 . . . . 16.8 110.36 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.671 ' HG3' ' HE1' ' A' ' 69' ' ' MET . 17.5 mm-40 -79.34 150.21 73.52 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.719 -0.673 . . . . 17.64 111.927 -176.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -80.28 -172.5 1.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.624 2.216 . . . . 20.73 111.64 175.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 71.07 177.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.323 -0.853 . . . . 20.94 111.852 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.517 HD13 ' HB2' ' A' ' 81' ' ' MET . 3.8 mm? -102.05 131.39 22.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 23.39 111.694 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -68.74 158.03 59.43 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.377 2.051 . . . . 23.54 110.92 173.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -48.98 123.38 9.78 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.915 2.41 . . . . 25.03 113.021 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.78 -26.58 23.88 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.596 -0.811 . . . . 26.59 114.06 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -88.0 140.34 29.59 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.658 0.729 . . . . 27.13 111.571 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.614 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 63.2 mt-10 -120.49 139.63 52.61 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.757 -0.461 . . . . 26.95 109.757 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.517 ' HB2' HD13 ' A' ' 75' ' ' LEU . 47.9 ttm -115.32 120.59 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.938 -0.393 . . . . 25.77 109.938 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -145.33 152.75 40.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.495 -0.557 . . . . 28.73 109.495 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -113.5 151.92 30.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.308 -0.256 . . . . 29.77 110.308 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 p -83.61 174.35 10.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.786 -0.82 . . . . 32.42 108.786 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -73.99 4.74 5.0 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.12 0.785 . . . . 34.47 113.12 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.669 ' HG3' HG21 ' A' ' 88' ' ' VAL . 10.0 pt-20 -121.7 5.79 10.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 35.43 110.789 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.86 9.2 58.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.522 -0.847 . . . . 31.32 113.691 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.669 HG21 ' HG3' ' A' ' 86' ' ' GLU . 86.6 t -81.44 130.09 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 117.374 0.587 . . . . 32.2 109.857 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -91.66 121.0 32.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 28.83 110.441 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -127.74 154.34 45.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.612 -0.514 . . . . 30.27 109.612 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.455 ' HE1' ' HE3' ' A' ' 81' ' ' MET . 92.0 m-85 -116.19 155.13 28.83 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 120.889 0.376 . . . . 28.69 110.833 -178.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 37.1 t -132.87 127.88 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 29.45 111.243 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.41 109.49 20.39 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.572 -1.269 . . . . 29.7 107.572 174.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -74.32 -25.83 59.79 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.066 -0.396 . . . . 29.9 111.853 -172.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.44 ' OD1' HG21 ' A' ' 96' ' ' THR . 5.8 p30 -71.84 -46.81 56.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.52 0.2 . . . . 31.42 111.459 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.44 HG21 ' OD1' ' A' ' 95' ' ' ASN . 14.3 p -90.06 -12.71 37.68 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.175 -0.328 . . . . 33.14 110.783 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 57.7 62.94 1.95 Allowed 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 122.198 0.999 . . . . 35.9 110.466 -177.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.0 p -135.95 154.7 51.02 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 113.514 -1.676 . . . . 32.79 110.55 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 p -108.64 137.22 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.72 . . . . 32.98 109.057 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 133.71 20.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.125 -0.63 . . . . 31.05 111.635 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -89.95 99.62 12.6 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.179 -0.919 . . . . 32.23 109.125 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -129.19 154.82 46.4 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.843 -0.799 . . . . 28.42 108.843 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.2 146.78 82.29 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.124 -0.324 . . . . 27.97 110.124 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -55.04 -34.39 86.93 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.785 2.323 . . . . 26.03 110.869 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.33 122.79 36.66 Favored Pre-proline 0 N--CA 1.447 -0.606 0 N-CA-C 107.899 -1.148 . . . . 27.8 107.899 174.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.96 122.77 11.16 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 121.922 1.748 . . . . 29.23 112.72 -173.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.39 -28.46 5.23 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.82 -0.627 . . . . 30.74 112.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.3 t80 55.18 56.71 6.19 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 109.061 -0.718 . . . . 30.1 109.061 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.485 -0.78 . . . . 32.01 110.488 -175.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.229 -0.348 . . . . 5.35 112.229 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p 56.74 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.26 1.024 . . . . 2.67 113.134 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -91.66 155.09 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 3.19 109.27 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -122.74 136.48 54.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.322 -0.251 . . . . 2.57 110.322 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.416 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 4.3 tp-100 -88.57 118.69 28.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.99 110.058 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.491 ' HE1' ' HH ' ' A' ' 48' ' ' TYR . 82.4 m-85 -114.86 149.74 36.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.727 -0.842 . . . . 1.38 108.727 177.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HG3' ' OG1' ' A' ' 54' ' ' THR . 10.3 pttt -123.65 161.85 24.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 3.1 111.257 178.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 15.5 tp -141.29 141.72 33.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.022 -0.99 . . . . 1.12 109.724 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.1 mt -121.37 112.36 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.648 -0.871 . . . . 1.31 108.648 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -83.71 102.01 11.96 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.379 -0.6 . . . . 1.03 109.379 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -97.4 82.36 3.11 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 108.224 -1.028 . . . . 1.96 108.224 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.69 121.92 2.14 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 109.959 -1.256 . . . . 0.91 109.959 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -58.8 -13.47 6.22 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.288 0.477 . . . . 3.78 112.288 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -80.98 -38.07 28.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.057 0.456 . . . . 2.46 110.308 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' C ' HD12 ' A' ' 15' ' ' LEU . 3.4 tm? -157.01 117.32 3.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.632 -0.877 . . . . 2.37 108.632 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.1 mppt? -111.6 141.37 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.915 0.388 . . . . 3.04 110.066 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.416 ' C ' ' HG3' ' A' ' 18' ' ' GLU . . . 178.89 -177.72 48.55 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.058 -0.591 . . . . 0.49 111.737 -176.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG3' ' C ' ' A' ' 17' ' ' GLY . 5.1 mt-10 -143.79 165.77 26.76 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.347 -0.612 . . . . 1.69 109.347 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.517 HG23 ' CE2' ' A' ' 36' ' ' TYR . 13.4 t -169.4 168.64 9.42 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.703 -0.399 . . . . 1.15 111.455 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.416 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 17.6 p -134.29 158.62 43.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.86 -0.609 . . . . 1.09 110.354 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -156.75 151.15 25.38 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.92 -0.4 . . . . 1.07 109.92 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 22' ' ' GLU . 1.6 pm0 -92.12 130.54 37.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.597 -0.519 . . . . 2.26 109.597 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.0 158.7 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 1.13 109.544 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 m -103.91 6.63 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.306 . . . . 1.73 111.626 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -165.36 160.23 17.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.616 -0.513 . . . . 2.13 109.616 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.29 -46.59 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.355 -0.384 . . . . 1.32 111.386 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -25.05 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.094 0.473 . . . . 1.21 110.831 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -75.15 -27.75 59.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 1.15 110.694 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.24 -38.59 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 1.09 110.117 -177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.5 tt0 -55.07 -59.74 4.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.108 -0.951 . . . . 1.29 110.136 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -51.32 -38.65 54.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.374 -0.83 . . . . 2.94 112.257 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.9 t -75.73 -56.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.747 0.308 . . . . 1.1 111.058 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.43 ' HD1' ' HA ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -60.8 -24.98 66.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.283 -0.417 . . . . 1.92 112.041 -179.534 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.621 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 32.9 mtpt -70.22 -39.65 74.98 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.053 -0.404 . . . . 1.69 110.721 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.05 -31.04 67.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.772 -0.825 . . . . 2.5 108.772 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.517 ' CE2' HG23 ' A' ' 19' ' ' THR . 20.2 t80 -63.6 -52.83 59.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.881 -1.054 . . . . 2.13 109.954 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.8 79.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.37 -0.832 . . . . 1.06 110.3 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.61 -40.4 91.71 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.415 -0.812 . . . . 2.14 111.321 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.02 -27.77 69.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 1.78 111.024 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -95.18 -3.73 47.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 1.78 110.695 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.15 24.31 71.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.02 -0.609 . . . . 0.44 112.469 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.1 t -104.92 100.39 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-O 121.254 0.55 . . . . 1.12 110.531 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -133.75 134.85 43.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.543 -0.753 . . . . 1.86 109.527 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.68 -168.97 35.44 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.102 -0.799 . . . . 0.63 111.102 -175.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 141.1 55.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 2.79 110.93 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.621 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.2 m95 -113.5 125.36 54.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.305 0.574 . . . . 0.41 111.552 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.494 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.7 p -124.55 156.04 38.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.569 -0.741 . . . . 1.25 109.854 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.491 ' HH ' ' HE1' ' A' ' 6' ' ' TYR . 83.2 t80 -139.39 140.26 37.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.899 -0.32 . . . . 1.95 111.072 -177.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.734 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.9 p30 -117.52 146.34 43.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.798 -0.816 . . . . 2.07 108.798 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.77 -28.28 16.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.524 0.678 . . . . 2.28 109.179 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.46 77.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.98 -1.009 . . . . 1.42 112.546 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.467 HG22 ' CB ' ' A' ' 54' ' ' THR . 15.0 t -130.95 17.21 5.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.92 -0.712 . . . . 1.95 112.292 -178.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 43.45 39.83 2.42 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.418 0.628 . . . . 2.56 110.407 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.734 ' HB ' ' OD1' ' A' ' 49' ' ' ASP . 83.8 m -107.09 125.26 50.83 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.429 -0.805 . . . . 1.17 112.351 -174.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 36.5 m-85 -89.72 130.1 36.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 1.98 109.136 176.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.494 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 9.1 m -119.82 117.01 27.04 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.837 -0.345 . . . . 1.44 110.624 -179.097 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.1 p -105.57 127.54 60.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.679 -1.23 . . . . 1.15 107.679 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -121.87 115.21 22.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.966 -0.561 . . . . 1.14 111.62 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.96 90.08 0.3 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.901 -1.045 . . . . 2.56 110.925 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.83 108.28 2.26 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.032 -1.08 . . . . 2.32 111.212 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 p -143.9 -67.97 0.33 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.053 -0.351 . . . . 4.8 110.053 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.13 163.48 22.15 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.441 -0.664 . . . . 4.49 111.441 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -117.21 -39.39 0.8 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.688 -0.767 . . . . 6.24 111.53 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.38 94.05 5.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.723 0.297 . . . . 6.72 110.263 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.74 -20.7 74.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.913 -0.585 . . . . 8.41 112.941 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.74 -36.7 61.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.448 -0.882 . . . . 10.44 112.211 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 58.69 -80.64 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.708 0.803 . . . . 12.73 111.806 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.65 -21.68 5.02 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.93 -0.652 . . . . 11.72 112.457 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 67.1 mtt 58.91 31.87 21.71 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.134 0.492 . . . . 14.76 110.658 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.1 mt -132.82 85.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.271 -0.64 . . . . 14.51 109.271 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.4 12.3 29.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.372 0.606 . . . . 16.8 109.596 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.82 132.14 80.83 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.365 -0.834 . . . . 17.64 110.686 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -81.95 -171.42 1.19 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.193 2.595 . . . . 20.73 112.935 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 71.8 106.39 0.07 Allowed 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 114.658 -1.155 . . . . 20.94 111.512 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.62 155.34 38.69 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.4 -0.818 . . . . 23.39 109.817 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.601 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 14.4 Cg_exo -75.07 159.97 40.49 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.126 1.884 . . . . 23.54 110.523 177.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -62.58 129.06 25.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 121.878 1.719 . . . . 25.03 110.974 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.24 -27.55 19.53 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.667 -0.778 . . . . 26.59 113.044 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.601 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 74.4 m95 -90.69 142.05 28.15 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 117.303 0.551 . . . . 27.13 110.987 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.606 ' HB2' ' CE1' ' A' ' 94' ' ' HIS . 10.4 tp10 -123.56 146.37 48.17 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.85 -0.426 . . . . 26.95 109.85 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.586 ' HE1' ' HD2' ' A' ' 89' ' ' ARG . 15.9 ttt -129.1 128.08 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 25.77 110.387 -179.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -149.98 160.2 43.8 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.173 -0.677 . . . . 28.73 109.173 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -106.43 150.79 25.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.723 0.297 . . . . 29.77 111.303 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.2 p -86.53 -173.7 4.64 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.391 -0.596 . . . . 32.42 109.391 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -85.53 10.95 11.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.944 0.402 . . . . 34.47 111.835 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -120.67 0.18 10.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.177 -0.465 . . . . 35.43 109.776 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.68 18.58 54.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.986 -0.626 . . . . 31.32 112.762 -178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.1 t -95.77 130.6 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.032 0.444 . . . . 32.2 111.323 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.586 ' HD2' ' HE1' ' A' ' 81' ' ' MET . 52.7 ttt180 -79.76 116.57 20.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.65 -0.704 . . . . 28.83 110.806 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -121.49 158.7 27.86 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.487 -0.56 . . . . 30.27 109.487 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.583 ' HE1' ' HE ' ' A' ' 89' ' ' ARG . 22.7 m-30 -115.56 155.87 26.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.212 0.529 . . . . 28.69 111.343 -176.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.596 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 9.6 t -125.95 104.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.604 -0.725 . . . . 29.45 109.535 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -75.93 122.37 24.06 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.871 -1.159 . . . . 29.7 107.871 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.606 ' CE1' ' HB2' ' A' ' 80' ' ' GLU . 35.1 m80 -81.55 -22.33 37.91 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.509 0.929 . . . . 29.9 113.509 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -79.91 -29.83 39.93 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.247 -0.581 . . . . 31.42 111.229 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.3 p -99.56 -26.96 13.92 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.91 -0.404 . . . . 33.14 109.91 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 67.02 44.09 2.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 122.543 1.163 . . . . 35.9 110.021 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.46 146.47 46.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 112.644 -2.071 . . . . 32.79 109.474 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 p -83.36 112.37 19.85 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.475 -0.565 . . . . 32.98 109.475 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 m -105.16 152.56 22.66 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.973 0.416 . . . . 31.05 110.857 -175.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.63 153.48 17.7 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.74 0.781 . . . . 32.23 111.182 175.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 18.8 ptpt -51.78 157.63 1.15 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.775 -1.557 . . . . 28.42 112.145 -177.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.13 110.61 0.74 Allowed Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 114.566 -1.197 . . . . 27.97 111.886 -177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -69.06 -46.87 1.32 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.31 2.007 . . . . 26.03 111.738 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 105' ' ' ARG . 3.3 mpt_? -112.93 115.11 48.64 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.738 -0.665 . . . . 27.8 109.312 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -50.98 118.79 4.56 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.589 1.526 . . . . 29.23 111.815 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.86 -33.76 4.32 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-O 119.002 -0.888 . . . . 30.74 112.817 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.9 p90 30.59 66.83 0.13 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.569 0.747 . . . . 30.1 112.522 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.722 -0.656 . . . . 32.01 109.591 -177.556 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.447 ' HD2' HG13 ' A' ' 24' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 110.382 -0.229 . . . . 2.5 110.382 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.408 ' HG3' ' CE2' ' A' ' 6' ' ' TYR . 20.3 ptp -119.33 140.58 50.08 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 110.098 -0.334 . . . . 2.06 110.098 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -76.61 144.01 39.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.089 0.471 . . . . 1.9 111.984 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 4' ' ' MET . 38.0 m-85 -135.02 142.3 46.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.254 -0.885 . . . . 0.83 109.076 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HB2' HG23 ' A' ' 54' ' ' THR . 59.7 mttt -106.2 164.4 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.394 0.616 . . . . 2.57 111.465 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' A' ' 33' ' ' PHE . 25.3 tp -146.07 140.02 26.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.763 -1.108 . . . . 0.33 109.868 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.1 mt -127.61 120.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.465 -0.939 . . . . 0.62 108.465 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' A' ' 36' ' ' TYR . 1.1 mm? -95.92 94.73 7.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.518 -0.549 . . . . 0.25 109.518 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.25 87.8 7.53 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.509 -0.922 . . . . 1.96 108.509 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.85 -174.26 14.64 Favored Glycine 0 C--N 1.314 -0.645 0 C-N-CA 120.37 -0.919 . . . . 0.91 111.746 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -95.64 -55.9 2.87 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.795 -0.362 . . . . 3.26 111.768 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 t -99.36 6.92 45.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.369 -0.832 . . . . 1.93 110.009 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.55 101.66 4.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.169 -0.923 . . . . 1.8 109.078 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 22.8 mtmt -135.32 130.6 35.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.355 -0.384 . . . . 2.49 110.0 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.58 178.36 47.12 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.229 -0.748 . . . . 0.39 111.229 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -136.54 158.52 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.236 -0.653 . . . . 1.69 109.236 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 t -156.82 173.4 17.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.563 0.22 . . . . 0.58 110.477 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 p -141.41 148.01 38.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.338 -0.392 . . . . 0.38 110.62 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.406 ' HB ' ' CZ ' ' A' ' 33' ' ' PHE . 3.6 t -141.82 157.93 44.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.979 -0.378 . . . . 0.38 109.979 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.61 130.24 56.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.992 -0.549 . . . . 2.26 110.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.26 166.97 31.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.973 -0.38 . . . . 0.38 109.973 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' ' 3' ' ' HIS . 17.6 m -103.61 -2.47 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.001 0.371 . . . . 1.09 112.001 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -132.13 156.46 46.34 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.49 -0.559 . . . . 2.13 109.49 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.6 23.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.838 -0.431 . . . . 0.59 109.838 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.34 90.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 0.48 110.991 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 m -67.78 -32.07 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.46 110.635 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.25 73.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.776 0.798 . . . . 0.28 109.148 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.26 -62.75 1.36 Allowed 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.386 -1.279 . . . . 1.29 109.439 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -50.59 -42.94 56.43 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.859 -1.064 . . . . 2.42 113.452 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.36 -44.49 90.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.035 0.445 . . . . 0.3 111.181 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.442 ' CG ' HD22 ' A' ' 8' ' ' LEU . 1.5 m-85 -73.18 -21.77 60.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.366 -0.379 . . . . 1.11 111.86 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -68.37 -40.99 81.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.266 -0.642 . . . . 1.09 109.266 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 2.2 109.167 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HE2' HD21 ' A' ' 10' ' ' LEU . 48.7 t80 -69.32 -50.41 46.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.797 . . . . 1.24 110.197 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.21 75.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.737 -0.665 . . . . 0.22 110.33 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -52.09 -51.81 55.34 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.259 -0.882 . . . . 1.39 111.743 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.15 -5.05 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.136 -0.484 . . . . 1.78 111.876 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -108.73 3.3 22.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.102 0.477 . . . . 1.78 110.369 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.39 23.96 76.25 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.655 -0.702 . . . . 0.37 112.948 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.32 118.34 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-O 121.364 0.602 . . . . 0.46 111.701 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -147.49 142.4 26.9 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.294 -1.373 . . . . 1.86 107.294 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -172.03 -170.99 36.58 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.171 -1.014 . . . . 0.43 111.785 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.85 104.15 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.593 . . . . 2.79 109.4 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -75.49 100.66 4.59 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.805 -0.634 . . . . 0.41 111.262 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.426 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 8.6 p -100.04 155.66 17.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.316 -0.856 . . . . 0.63 110.437 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -149.31 144.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.827 -0.349 . . . . 1.18 110.918 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -123.88 131.24 53.55 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 107.984 -1.117 . . . . 2.07 107.984 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -81.25 -15.19 56.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 122.31 -0.244 . . . . 2.28 111.427 -173.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.22 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.839 -0.344 . . . . 0.91 111.906 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.1 p -115.1 -3.68 12.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.832 1.049 . . . . 1.19 113.832 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.54 37.8 19.34 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.489 0.661 . . . . 2.08 110.229 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 7' ' ' LYS . 10.9 m -102.17 111.68 24.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.407 -0.815 . . . . 0.51 111.6 -176.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 23.7 m-85 -85.21 125.04 32.54 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.311 -0.996 . . . . 1.19 108.311 174.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.426 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 26.5 m -117.45 119.54 35.39 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.874 0.369 . . . . 0.96 110.938 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -113.45 106.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.744 0.783 . . . . 0.3 109.252 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.432 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 1.2 m -99.55 125.74 45.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.428 -0.805 . . . . 0.52 110.345 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.944 -0.571 . . . . 2.56 109.971 -178.317 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.499 0.19 . . . . 22.94 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.767 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 37.6 Cg_endo -77.0 157.14 34.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.447 2.098 . . . . 23.54 111.258 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -45.97 130.93 13.56 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.03 2.487 . . . . 25.03 113.172 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.67 4.05 90.46 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 115.146 0.818 . . . . 26.59 115.146 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.767 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 59.5 m95 -107.3 142.72 36.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.78 1.29 . . . . 26.61 111.265 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.611 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 50.3 mt-10 -127.43 132.42 50.08 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.599 -0.519 . . . . 26.95 109.599 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 60.6 ttp -112.33 106.72 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.187 -1.042 . . . . 25.77 108.187 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -133.97 156.99 47.19 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.198 -0.667 . . . . 28.23 109.198 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -112.87 152.5 29.19 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.344 -0.243 . . . . 29.77 110.344 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -79.61 174.16 11.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.514 -0.921 . . . . 31.75 108.514 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 p -73.66 9.56 1.39 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.578 0.585 . . . . 34.32 112.578 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -120.81 0.8 10.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 35.43 109.714 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.84 12.81 60.1 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.599 -0.81 . . . . 31.3 113.438 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.5 t -81.69 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.621 -0.511 . . . . 31.86 109.621 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -91.01 123.63 34.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 28.74 111.535 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -135.58 155.61 50.19 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.885 -0.413 . . . . 30.27 109.885 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -116.27 157.64 24.62 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.949 0.404 . . . . 28.69 110.339 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.611 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 43.9 t -125.06 112.7 32.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.256 -0.429 . . . . 29.13 110.91 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.03 89.33 2.99 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.051 -1.092 . . . . 29.7 108.051 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.7 -11.47 60.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.026 0.441 . . . . 29.9 110.746 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -72.49 -37.28 68.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 31.42 110.286 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 p -112.57 -6.84 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.383 0.611 . . . . 33.14 110.536 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 60.4 73.46 0.48 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 114.817 -1.083 . . . . 35.29 111.139 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -155.54 165.83 35.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.82 -1.536 . . . . 32.59 109.264 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 p -103.51 142.47 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.949 -0.389 . . . . 32.77 109.949 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -146.85 139.74 25.22 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 110.175 -0.305 . . . . 30.32 110.175 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--N 1.321 -0.647 0 N-CA-C 109.983 -0.377 . . . . 31.76 109.983 178.147 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.801 -0.814 . . . . 2.5 108.801 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.648 ' HG3' ' HE2' ' A' ' 6' ' ' TYR . 18.0 ptp -120.75 132.1 54.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.682 -0.858 . . . . 2.06 108.682 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -92.69 132.85 36.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.169 0.509 . . . . 1.9 111.549 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.648 ' HE2' ' HG3' ' A' ' 4' ' ' MET . 70.6 m-85 -123.54 151.04 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 0.83 109.289 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HB3' HG22 ' A' ' 20' ' ' THR . 14.6 ptmt -123.29 148.49 45.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.128 0.489 . . . . 2.57 110.22 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.7 tp -130.18 131.64 45.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.233 -0.894 . . . . 0.33 110.051 -178.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.61 125.87 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.143 -0.688 . . . . 0.62 109.143 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -95.64 100.58 12.29 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 109.355 -0.609 . . . . 0.25 109.355 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.437 ' CB ' HG23 ' A' ' 58' ' ' THR . 88.9 m-20 -94.54 86.36 4.79 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.418 -0.956 . . . . 1.96 108.418 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.581 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.73 136.65 5.7 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.038 -0.825 . . . . 0.91 111.038 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -58.63 -19.67 41.03 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.247 0.462 . . . . 3.26 112.247 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -94.86 -15.26 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 1.93 111.573 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.24 101.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.8 110.297 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 16.2 mttm -113.83 118.04 33.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.175 -0.466 . . . . 2.49 110.469 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.76 -166.49 37.81 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.886 -0.885 . . . . 0.39 110.886 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -162.66 150.37 13.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.93 0.395 . . . . 1.69 110.285 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -147.93 178.45 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.755 -0.657 . . . . 0.58 110.62 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 7' ' ' LYS . 40.0 p -133.49 156.62 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.585 -0.279 . . . . 0.38 111.539 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -149.8 156.28 41.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.028 -0.533 . . . . 0.38 109.581 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -103.11 135.86 43.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.337 -0.616 . . . . 2.26 109.337 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 4' ' ' MET . . . -146.34 162.57 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.323 -0.621 . . . . 0.38 109.323 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.64 8.44 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.106 -0.371 . . . . 1.09 111.033 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -152.96 159.62 42.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 2.13 110.237 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.03 -42.73 25.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.232 -0.44 . . . . 0.59 111.904 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.06 -32.74 63.43 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.613 0.721 . . . . 0.48 110.292 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.0 m -64.31 -27.13 68.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.985 -1.007 . . . . 0.46 110.513 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.7 67.04 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.117 -0.698 . . . . 0.28 109.117 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 10.1 tt0 -62.41 -59.0 5.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.974 -1.012 . . . . 1.29 109.555 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -49.74 -42.8 47.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.862 -1.063 . . . . 2.42 113.231 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' THR . 84.3 t -70.37 -45.79 73.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.838 0.351 . . . . 0.3 111.184 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.444 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 2.4 m-85 -70.86 -21.34 62.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.741 0.275 . . . . 1.11 111.741 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 29.1 mtpt -69.76 -43.61 71.87 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.97 -0.381 . . . . 1.09 109.97 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -68.78 -27.51 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.862 -0.792 . . . . 2.2 108.862 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 35.2 t80 -69.85 -52.57 23.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.769 -1.105 . . . . 1.24 110.254 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.74 72.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 0.22 110.678 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -67.66 -26.89 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 1.39 109.681 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.88 -30.93 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.782 -0.645 . . . . 1.78 110.738 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -101.28 2.79 40.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.006 0.432 . . . . 1.78 110.433 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.43 60.63 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.37 114.495 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -102.5 112.4 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 117.852 0.826 . . . . 0.46 110.969 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -132.44 109.63 9.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.746 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.64 -168.62 16.27 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.122 -0.561 . . . . 0.43 111.923 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.54 139.68 37.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.303 -0.258 . . . . 2.79 110.303 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.55 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.3 m95 -113.72 99.14 7.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.41 110.771 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 p -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.68 -0.691 . . . . 0.63 109.873 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -153.7 151.24 29.42 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.757 -0.377 . . . . 1.18 111.524 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.99 132.98 38.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 107.677 -1.231 . . . . 2.07 107.677 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.95 -23.1 22.76 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.058 -0.657 . . . . 2.28 111.709 -170.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.81 -25.78 63.01 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.994 -0.282 . . . . 0.91 111.026 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.4 p -116.87 -0.04 12.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.825 0.676 . . . . 1.19 112.825 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 48.94 36.87 9.06 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.109 0.48 . . . . 2.08 111.692 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 m -104.4 115.98 31.32 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.378 0.51 . . . . 0.51 112.378 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 28.1 m-85 -84.92 133.82 34.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.742 -1.207 . . . . 1.19 107.742 171.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.26 118.48 29.66 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.62 -0.432 . . . . 0.96 111.369 -177.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.33 109.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.347 -0.982 . . . . 0.3 108.347 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.437 HG23 ' CB ' ' A' ' 11' ' ' ASN . 1.6 m -111.64 129.57 56.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.429 -0.805 . . . . 0.52 110.929 -175.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.516 -0.766 . . . . 2.56 109.214 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.235 0.304 0 N-CA-C 109.716 -0.476 . . . . 22.94 109.716 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.9 Cg_exo -71.22 160.55 48.62 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 121.833 1.689 . . . . 23.54 110.431 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -60.8 129.69 30.08 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.85 1.7 . . . . 25.03 110.987 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.54 61.28 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 120.468 -0.872 . . . . 26.59 113.94 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.551 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.4 m95 -96.44 126.72 41.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 117.859 0.83 . . . . 26.61 111.306 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 39.8 mt-10 -111.59 149.75 31.03 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.495 -0.557 . . . . 26.95 109.495 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -126.27 117.71 23.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.316 -0.624 . . . . 25.77 109.316 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -143.38 157.49 44.42 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 110.067 -0.345 . . . . 28.23 110.067 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.53 159.69 17.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.872 0.367 . . . . 29.77 111.519 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.5 p -89.84 -168.38 2.12 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.775 -0.824 . . . . 31.75 108.775 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 p -90.46 10.87 23.52 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.878 -0.514 . . . . 34.32 112.056 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -120.23 0.43 10.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.474 0.654 . . . . 35.43 109.589 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.95 2.17 69.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.483 -0.865 . . . . 31.3 111.913 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.46 131.05 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 31.86 109.75 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -97.57 121.4 39.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.012 -0.54 . . . . 28.74 110.601 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.84 153.3 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.713 -0.847 . . . . 30.27 108.713 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -117.23 146.14 43.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.339 -0.544 . . . . 28.69 109.599 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.616 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.9 t -110.97 104.04 16.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.254 -0.43 . . . . 29.13 110.977 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.64 85.58 1.18 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.454 -1.313 . . . . 29.7 107.454 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -72.52 -2.58 20.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.853 0.359 . . . . 29.9 111.349 -174.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -75.01 -27.12 59.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.619 -0.512 . . . . 31.42 109.619 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 p -119.81 -6.64 10.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.102 0.477 . . . . 33.14 109.897 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 65.3 31.67 10.4 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.116 -0.947 . . . . 35.29 110.908 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -106.54 153.2 22.67 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.634 -1.166 . . . . 32.59 110.572 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.1 p -94.88 121.04 36.07 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.487 -0.931 . . . . 32.77 108.487 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 t -124.42 157.97 33.87 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.096 0.474 . . . . 30.32 110.796 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 108.968 -0.753 . . . . 31.76 108.968 176.446 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 m170 . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 119.816 -0.135 . . . . 2.5 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.1 ptm -103.63 136.58 43.08 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.084 -0.71 . . . . 2.06 109.084 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.32 140.01 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.014 0.435 . . . . 1.9 111.895 -176.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -122.41 160.6 25.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.546 -0.752 . . . . 0.83 110.366 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.887 ' HD2' HG23 ' A' ' 54' ' ' THR . 5.4 tmtm? -123.56 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.66 -0.7 . . . . 2.57 110.424 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.622 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 17.2 tp -134.2 144.47 48.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.944 0.402 . . . . 0.33 111.352 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.606 HG12 ' HG2' ' A' ' 18' ' ' GLU . 88.6 mt -129.38 127.47 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.296 -0.866 . . . . 0.62 109.118 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.81 102.98 14.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.622 -0.511 . . . . 0.25 109.622 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.418 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 8.8 m120 -96.22 86.42 4.23 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.021 -0.733 . . . . 1.96 109.021 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -153.92 135.53 4.82 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.169 -0.772 . . . . 0.91 111.169 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -55.05 -21.44 12.41 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.393 0.516 . . . . 3.26 112.393 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 p -78.68 -52.75 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.77 0.319 . . . . 1.93 110.592 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 15' ' ' LEU . 1.6 mm? -134.48 104.65 6.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 1.8 111.269 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.9 OUTLIER -105.86 121.42 44.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.484 -0.561 . . . . 2.49 109.484 175.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.06 -173.94 46.05 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.336 -0.705 . . . . 0.39 111.336 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.606 ' HG2' HG12 ' A' ' 9' ' ' ILE . 36.1 mt-10 -139.02 164.89 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.827 0.346 . . . . 1.69 111.227 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -163.96 172.84 13.37 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.952 -0.567 . . . . 0.58 110.539 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p -140.71 155.57 46.43 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.667 0.387 . . . . 0.38 110.001 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -152.71 157.5 40.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.266 -0.272 . . . . 0.38 110.266 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.09 141.34 28.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 2.26 109.73 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.58 147.29 35.64 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.884 -0.326 . . . . 0.38 110.373 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -101.2 7.3 9.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.786 0.327 . . . . 1.09 110.944 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -164.25 159.12 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.449 -0.945 . . . . 2.13 108.449 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.9 67.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.652 0.263 . . . . 0.59 111.469 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.02 73.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 0.48 111.021 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 m -69.34 -29.26 67.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.67 . . . . 0.46 111.157 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.52 74.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.28 110.685 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.2 tt0 -65.93 -55.2 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.58 -0.736 . . . . 1.29 109.792 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -51.45 -43.16 61.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.042 0.756 . . . . 2.42 113.042 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 28' ' ' THR . 83.9 t -69.08 -51.55 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 0.3 111.254 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.547 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.4 m-30 -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.402 -0.363 . . . . 1.11 111.979 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.665 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 25.0 mtpp -72.61 -40.12 66.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.125 -0.324 . . . . 1.09 110.125 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -70.57 -32.03 69.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.861 -0.792 . . . . 2.2 108.861 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.547 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 24.2 t80 -65.98 -51.38 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.912 -1.04 . . . . 1.24 110.162 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . -67.27 -30.04 69.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.355 -0.839 . . . . 0.22 110.088 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.48 -39.25 92.84 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.467 -0.788 . . . . 1.39 110.685 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.88 -26.41 67.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.375 -0.375 . . . . 1.78 111.562 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -102.79 6.39 39.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.929 0.395 . . . . 1.78 110.328 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.24 20.34 67.2 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.614 -0.721 . . . . 0.37 113.065 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.523 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 91.4 t -102.64 105.86 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 121.425 0.631 . . . . 0.46 111.146 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -143.55 140.58 30.31 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.29 -1.004 . . . . 1.86 108.29 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -169.91 -169.58 33.29 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.898 -0.881 . . . . 0.43 110.898 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.74 111.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.043 0.449 . . . . 2.79 110.764 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.665 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.5 m95 -82.06 105.83 13.48 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.706 -0.679 . . . . 0.41 111.21 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.95 157.04 17.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 0.63 109.628 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.436 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 79.0 t80 -146.72 147.09 30.6 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.334 -0.229 . . . . 1.18 111.223 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.6 142.27 47.79 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.864 -0.791 . . . . 2.07 108.864 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.61 -36.47 44.14 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 111.67 0.248 . . . . 2.28 111.67 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -26.6 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.582 0.586 . . . . 0.91 112.582 -175.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -109.68 -15.48 14.14 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.865 1.061 . . . . 1.19 113.865 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 13.5 mptt 60.04 24.32 13.52 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-O 121.85 0.833 . . . . 2.08 109.816 -177.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.887 HG23 ' HD2' ' A' ' 7' ' ' LYS . 39.4 m -89.21 114.9 26.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.733 -1.121 . . . . 0.51 112.047 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.542 ' O ' HD12 ' A' ' 8' ' ' LEU . 84.7 m-85 -83.7 120.89 26.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.144 -1.058 . . . . 1.19 108.144 171.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 m -111.31 118.16 35.11 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.839 0.352 . . . . 0.96 110.206 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.7 p -110.13 113.05 43.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.773 -0.825 . . . . 0.3 108.773 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.497 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 5.7 m -110.04 131.14 55.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.442 -0.799 . . . . 0.52 111.398 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 109.524 -0.547 . . . . 2.56 109.524 177.239 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.231 0.11 0 N-CA-C 107.916 -1.142 . . . . 22.94 107.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.769 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 61.1 Cg_endo -74.51 143.97 31.55 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.289 1.326 . . . . 23.54 110.31 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -41.43 129.79 3.52 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 25.03 113.761 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.13 -15.97 59.8 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.647 -0.787 . . . . 26.59 114.504 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.769 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 72.9 m95 -94.04 147.27 23.29 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.084 0.942 . . . . 26.61 111.379 -177.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.635 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 15.5 tp10 -130.63 145.43 51.9 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.085 -0.709 . . . . 26.95 109.085 177.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -125.42 128.73 48.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.704 -0.225 . . . . 25.77 110.427 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -149.46 153.81 37.87 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.432 -0.581 . . . . 28.23 109.432 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.84 158.5 17.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.075 -0.342 . . . . 29.77 110.075 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.5 p -96.93 174.3 6.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.645 -0.872 . . . . 31.75 108.645 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 p -77.4 8.52 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.403 0.519 . . . . 34.32 112.403 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -119.43 5.27 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 35.43 110.579 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.48 83.3 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.659 -0.782 . . . . 31.3 112.262 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.45 146.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.691 -0.485 . . . . 31.86 109.691 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.39 128.18 55.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.47 -0.332 . . . . 28.74 110.642 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -127.76 155.94 43.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.457 -0.571 . . . . 30.27 109.457 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -117.6 153.61 32.96 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.065 0.459 . . . . 28.69 110.647 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.635 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 43.2 t -127.11 112.96 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 29.13 110.907 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.2 94.44 5.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 29.7 109.178 177.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -74.42 -4.54 37.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.216 0.462 . . . . 29.9 111.275 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.34 -30.77 54.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.076 -0.511 . . . . 31.42 109.867 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 p -115.4 -10.33 12.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.122 -0.49 . . . . 33.14 110.535 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 66.01 42.27 3.36 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.045 0.926 . . . . 35.29 110.006 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -122.23 168.54 11.89 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.272 -1.786 . . . . 32.59 109.984 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -113.56 138.01 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.642 . . . . 32.77 109.265 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 t -143.77 149.52 37.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.302 0.572 . . . . 30.32 111.272 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.763 -0.653 . . . . 31.76 109.435 176.764 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 109.943 -0.391 . . . . 2.5 109.943 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.432 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 25.1 mmt -122.33 135.47 54.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.274 -1.01 . . . . 2.06 108.274 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -85.22 99.19 10.94 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.648 -0.421 . . . . 1.9 110.288 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 4' ' ' MET . 96.1 m-85 -91.75 135.74 33.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.05 -0.722 . . . . 0.83 109.05 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HG3' HG23 ' A' ' 54' ' ' THR . 4.5 ptpp? -119.73 148.7 43.08 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.082 -0.508 . . . . 2.57 110.322 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.0 tp -128.19 140.63 51.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 0.33 110.055 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.509 HG12 ' HG2' ' A' ' 18' ' ' GLU . 89.4 mt -120.77 121.92 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 108.634 -0.876 . . . . 0.62 108.634 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -90.07 94.76 9.91 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.443 -0.577 . . . . 0.25 109.443 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.558 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -86.67 84.26 7.43 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.164 -1.05 . . . . 1.96 108.164 179.172 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -135.12 130.25 5.38 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.299 -0.953 . . . . 0.91 111.537 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -50.53 -30.92 14.16 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.655 0.782 . . . . 3.26 112.922 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -81.34 -41.64 21.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.716 -0.393 . . . . 1.93 111.181 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -145.1 126.1 14.53 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 121.244 0.545 . . . . 1.8 109.638 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -121.15 135.53 55.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.613 -0.721 . . . . 2.49 109.067 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.24 -171.25 43.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 0.39 112.372 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.509 ' HG2' HG12 ' A' ' 9' ' ' ILE . 22.8 mt-10 -130.12 171.33 12.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.69 111.272 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.518 HG21 ' CE1' ' A' ' 36' ' ' TYR . 15.0 t -168.28 155.29 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.052 -0.976 . . . . 0.58 108.813 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.1 p -132.8 159.23 40.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.891 0.377 . . . . 0.38 111.421 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -159.91 155.86 26.31 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.096 -0.705 . . . . 0.38 109.096 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.72 130.04 48.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.863 0.363 . . . . 2.26 110.224 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.94 157.26 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.83 -0.433 . . . . 0.38 109.83 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.7 m -94.68 -1.36 10.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 1.09 111.602 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -154.46 157.69 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.505 -0.316 . . . . 2.13 110.439 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -77.61 -42.82 33.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.828 -0.624 . . . . 0.59 111.466 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -67.68 -30.26 69.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.406 0.622 . . . . 0.48 110.117 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 m -73.08 -28.43 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.954 -1.021 . . . . 0.46 110.702 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.17 60.86 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.208 -0.664 . . . . 0.28 109.208 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 9.8 tt0 -50.87 -59.99 3.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.703 -1.135 . . . . 1.29 110.231 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 64.6 mmtt -49.74 -43.9 48.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.248 -0.887 . . . . 2.42 112.51 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.59 -46.62 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.3 111.125 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.442 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.6 m-85 -69.09 -20.17 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.844 0.313 . . . . 1.11 111.844 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.628 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 34.1 mtpt -72.67 -42.63 64.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.967 -0.382 . . . . 1.09 109.967 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -67.09 -30.27 70.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.761 -0.829 . . . . 2.2 108.761 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CE1' HG21 ' A' ' 19' ' ' THR . 47.7 t80 -67.88 -52.52 35.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.455 -0.793 . . . . 1.24 110.358 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.41 84.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.066 0.46 . . . . 0.22 109.777 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.41 -45.2 80.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.122 -0.944 . . . . 1.39 110.67 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -73.73 -19.76 60.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.451 -0.795 . . . . 1.78 110.775 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.32 -11.89 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 1.78 110.918 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.97 60.55 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.825 -0.625 . . . . 0.37 112.955 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.51 129.44 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 120.936 0.398 . . . . 0.46 110.905 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -150.18 99.14 2.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.471 -0.786 . . . . 1.86 109.534 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -151.25 -168.4 15.78 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 121.317 -0.468 . . . . 0.43 112.064 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.9 mm-40 -54.32 150.6 8.47 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.858 0.387 . . . . 2.79 110.955 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.628 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 8.9 m95 -126.22 112.75 16.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.284 -0.416 . . . . 0.41 111.409 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.76 153.81 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.466 -0.334 . . . . 0.63 110.806 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 37.6 t80 -135.09 149.6 50.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.695 0.283 . . . . 1.18 111.344 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -129.66 131.43 46.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.782 -1.192 . . . . 2.07 107.782 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.71 -9.08 55.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.633 0.254 . . . . 2.28 111.638 -171.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.771 -0.372 . . . . 0.91 111.541 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.9 p -121.91 5.37 9.9 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.981 0.734 . . . . 1.19 112.981 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 53.74 49.6 18.87 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.087 0.47 . . . . 2.08 110.543 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.403 HG23 ' HG3' ' A' ' 7' ' ' LYS . 7.0 m -116.87 124.44 49.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.387 -0.37 . . . . 0.51 111.696 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.48 ' OH ' ' HB1' ' A' ' 26' ' ' ALA . 21.6 m-85 -98.23 136.71 38.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.799 -0.815 . . . . 1.19 108.799 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.39 127.12 53.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.612 -0.267 . . . . 0.96 111.286 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 14.6 p -121.17 103.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.662 -0.866 . . . . 0.3 108.662 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.573 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 25.3 m -103.34 129.29 50.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.108 -0.951 . . . . 0.52 111.411 -176.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 2.56 110.119 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 118.905 -0.569 . . . . 22.94 109.541 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 87.8 Cg_exo -53.57 145.93 45.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 121.304 1.336 . . . . 23.54 111.799 176.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 76' ' ' PRO . 42.9 Cg_exo -45.56 125.95 8.18 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.783 2.989 . . . . 25.03 113.761 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.46 -10.69 54.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 115.664 -0.698 . . . . 26.59 114.556 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -95.62 134.92 37.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 118.257 1.029 . . . . 26.61 110.979 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.466 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 40.6 tt0 -116.53 153.13 32.73 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.511 -0.551 . . . . 26.95 109.511 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -135.54 135.18 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.77 109.35 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.925 ' HE2' HG21 ' A' ' 92' ' ' VAL . 18.3 pttt -161.73 158.76 26.32 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.906 -0.776 . . . . 28.23 108.906 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -103.13 157.1 17.23 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.868 0.366 . . . . 29.77 111.504 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.9 p -83.2 -172.65 4.26 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.297 -0.631 . . . . 31.75 109.297 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 p -83.98 12.1 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.915 0.388 . . . . 34.32 111.852 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -121.09 -1.45 9.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.425 -0.583 . . . . 35.43 109.425 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.91 6.46 69.63 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.733 -0.746 . . . . 31.3 112.295 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.36 138.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.757 0.313 . . . . 31.86 110.511 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -90.55 133.06 35.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 28.74 110.857 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -139.67 155.62 47.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.83 -0.433 . . . . 30.27 109.83 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -113.44 151.95 30.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.884 -0.413 . . . . 28.69 109.884 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.925 HG21 ' HE2' ' A' ' 82' ' ' LYS . 18.5 t -119.15 128.45 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 29.13 111.494 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.78 129.84 40.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.195 -1.039 . . . . 29.7 108.195 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -83.24 -22.91 32.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.415 0.524 . . . . 29.9 112.415 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.14 -37.07 26.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.888 -0.325 . . . . 31.42 111.529 -174.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.0 p -97.86 -17.09 19.49 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.224 -0.297 . . . . 33.14 111.437 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 57.5 71.04 0.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.049 0.928 . . . . 35.29 109.939 -175.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 t -143.7 169.92 16.83 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.37 -1.286 . . . . 32.59 109.704 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 p -118.64 123.02 43.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.881 -0.414 . . . . 32.77 109.881 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -130.86 158.13 41.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.819 -0.551 . . . . 30.32 110.32 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.425 -0.352 . . . . 31.76 110.722 -179.284 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 109.734 -0.469 . . . . 2.5 109.734 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.8 mtp -114.0 137.13 52.12 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.379 -0.601 . . . . 2.06 109.379 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.03 117.94 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.143 0.497 . . . . 1.9 111.35 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 56.1 m-85 -113.73 136.51 52.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.364 -0.976 . . . . 0.83 108.364 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HB3' HG22 ' A' ' 20' ' ' THR . 7.1 ptmm? -118.06 152.99 34.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.216 0.531 . . . . 2.57 111.874 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 55' ' ' TYR . 26.9 tp -126.96 146.33 50.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.083 -0.962 . . . . 0.33 110.306 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.871 HG12 ' HG2' ' A' ' 18' ' ' GLU . 91.0 mt -127.35 118.67 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.063 -0.717 . . . . 0.62 109.063 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -91.88 108.89 20.24 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.476 -0.565 . . . . 0.25 109.476 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 58' ' ' THR . 14.4 t-20 -104.68 86.61 2.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.459 -0.571 . . . . 1.96 109.459 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.53 -158.55 9.91 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.91 111.215 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 34.0 mtpt -91.8 -59.3 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.414 0.524 . . . . 3.26 112.414 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -97.23 -12.52 22.89 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.645 -0.659 . . . . 1.93 111.533 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 40' ' ' ASN . 20.0 mt -115.7 98.03 6.46 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.255 0.55 . . . . 1.8 109.89 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -133.54 115.94 15.33 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.14 -0.936 . . . . 2.49 109.658 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.38 -172.1 44.5 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.483 -1.047 . . . . 0.39 110.483 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.871 ' HG2' HG12 ' A' ' 9' ' ' ILE . 3.3 mt-10 -135.69 170.09 16.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.154 0.502 . . . . 1.69 111.061 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -160.93 168.99 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 0.58 109.191 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.524 HG22 ' HB3' ' A' ' 7' ' ' LYS . 9.2 p -142.14 153.66 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 0.38 112.092 -177.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -154.82 156.74 36.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.972 -0.751 . . . . 0.38 108.972 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -105.91 123.83 48.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.891 0.377 . . . . 2.26 110.458 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.57 157.96 44.93 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.808 -0.441 . . . . 0.38 109.808 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.2 m -98.23 7.28 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 1.09 111.387 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -155.11 157.85 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 2.13 111.253 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.94 23.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.804 -0.634 . . . . 0.59 111.354 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.65 76.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.647 0.737 . . . . 0.48 109.531 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -67.18 -30.12 69.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.953 -1.021 . . . . 0.46 110.876 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.82 -37.18 56.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.515 -0.55 . . . . 0.28 109.515 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.19 -62.14 2.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.077 -0.965 . . . . 1.29 110.142 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.11 -43.78 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.243 0.831 . . . . 2.42 113.243 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.79 -49.32 65.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.025 -0.27 . . . . 0.3 111.068 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.08 -21.32 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.522 -0.308 . . . . 1.11 111.422 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.12 -43.33 87.48 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.68 -0.489 . . . . 1.09 109.68 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -70.6 -30.99 67.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.351 -0.611 . . . . 2.2 109.351 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.88 -48.49 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.489 -0.778 . . . . 1.24 110.184 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.21 -38.89 68.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.961 -0.563 . . . . 0.22 110.526 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -58.21 -42.91 87.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.485 -0.779 . . . . 1.39 110.65 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -18.72 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 1.78 111.319 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.401 ' HB3' HD13 ' A' ' 15' ' ' LEU . 36.2 m-80 -99.37 -8.5 24.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.654 0.264 . . . . 1.78 110.808 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.28 27.17 28.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.686 -0.768 . . . . 0.37 112.975 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.28 119.43 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.171 0.51 . . . . 0.46 110.892 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -144.8 145.71 31.77 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.429 -0.952 . . . . 1.86 108.429 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 177.71 -169.53 41.57 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.754 -0.736 . . . . 0.43 111.469 -176.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.92 136.41 57.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.092 -0.336 . . . . 2.79 110.092 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HD1' ' O ' ' A' ' 44' ' ' GLY . 8.0 m95 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.191 0.52 . . . . 0.41 110.893 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -112.94 146.87 38.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.604 -0.726 . . . . 0.63 109.889 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.769 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 24.8 t80 -130.4 130.11 43.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.698 0.285 . . . . 1.18 111.092 -176.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.68 103.93 12.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.477 -1.305 . . . . 2.07 107.477 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -68.12 -22.67 64.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.589 0.218 . . . . 2.28 111.589 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.3 -33.28 69.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.763 0.316 . . . . 0.91 111.082 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.8 p -106.9 -3.29 20.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.247 0.462 . . . . 1.19 112.247 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 6' ' ' TYR . 71.3 mmtt 52.48 49.87 19.5 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.759 0.79 . . . . 2.08 110.333 -177.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -125.04 130.6 52.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.902 -1.045 . . . . 0.51 111.471 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.769 ' CE2' ' HB2' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -100.94 131.21 46.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.348 -0.982 . . . . 1.19 108.348 172.689 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.3 m -116.35 120.99 40.62 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.861 -0.335 . . . . 0.96 111.062 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -106.12 110.74 32.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 108.562 -0.903 . . . . 0.3 108.562 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.457 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 13.6 m -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.595 -0.729 . . . . 0.52 111.029 -176.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 107.95 -1.13 . . . . 2.56 107.95 178.424 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.426 ' N ' HD22 ' A' ' 75' ' ' LEU . 2.9 mm? . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.336 -0.246 . . . . 22.94 110.336 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -65.28 153.6 77.47 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.164 1.91 . . . . 23.54 111.112 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -46.88 124.13 8.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.653 2.236 . . . . 25.03 111.783 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.6 27.74 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.311 -0.947 . . . . 26.59 113.475 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -93.36 131.7 38.27 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.694 0.747 . . . . 26.61 110.539 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.448 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 45.7 mt-10 -123.73 143.81 50.06 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.728 -0.471 . . . . 26.95 109.728 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -117.41 127.89 54.47 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.471 -0.566 . . . . 25.77 109.471 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -143.91 157.34 44.42 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.428 -0.582 . . . . 28.23 109.428 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -109.56 151.16 27.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.031 -0.359 . . . . 29.77 110.031 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -80.9 -170.01 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 31.75 109.476 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 p -85.19 8.18 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.216 0.531 . . . . 34.32 111.471 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -121.1 0.82 10.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.446 0.641 . . . . 35.43 109.569 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.31 10.34 74.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.585 -0.816 . . . . 31.3 112.256 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.3 t -80.87 140.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.794 -0.447 . . . . 31.86 109.794 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -93.49 130.47 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.907 -0.588 . . . . 28.74 111.46 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -141.74 158.43 43.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.415 -0.587 . . . . 30.27 109.415 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -114.5 155.35 26.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.257 0.551 . . . . 28.69 111.341 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 57.6 t -127.08 122.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 29.13 111.167 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 98.32 10.52 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.377 -0.971 . . . . 29.7 108.377 175.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -72.86 -16.17 61.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.909 0.385 . . . . 29.9 110.665 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -75.89 -39.36 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.513 . . . . 31.42 111.145 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.8 p -104.6 -10.57 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 33.14 111.029 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 62.97 56.7 1.77 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 122.024 0.916 . . . . 35.29 110.764 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.2 p -139.83 157.88 45.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.788 -1.551 . . . . 32.59 110.049 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 p -98.15 147.92 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.076 -0.342 . . . . 32.77 110.076 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 t -145.81 153.3 40.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.408 -0.59 . . . . 30.32 109.408 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.69 0 C-N-CA 120.593 -0.443 . . . . 31.76 110.271 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 109.127 -0.694 . . . . 2.5 109.127 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.1 mtp -112.15 138.54 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.041 -0.355 . . . . 2.06 110.041 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -80.3 126.21 30.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 1.9 110.836 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -119.93 146.49 45.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.306 -0.998 . . . . 0.83 108.306 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.635 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.68 151.58 44.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.837 0.351 . . . . 2.57 111.358 -176.529 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 19.1 tp -128.95 144.55 51.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 0.33 110.26 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.721 HG12 ' HG2' ' A' ' 18' ' ' GLU . 71.1 mt -126.89 117.55 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.862 -0.608 . . . . 0.62 109.438 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.454 HD21 ' HE2' ' A' ' 36' ' ' TYR . 1.1 mm? -90.67 110.5 21.67 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.1 -0.704 . . . . 0.25 109.1 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -107.92 87.37 2.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.737 -0.838 . . . . 1.96 108.737 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -158.82 8.95 Favored Glycine 0 CA--C 1.506 -0.494 0 CA-C-N 115.462 -0.79 . . . . 0.91 111.592 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -94.67 -59.83 1.84 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.511 0.56 . . . . 3.26 112.511 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.3 1.03 54.32 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.555 0.693 . . . . 1.93 110.1 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.72 98.98 4.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.411 -0.813 . . . . 1.8 109.251 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -132.09 116.37 16.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.235 -0.893 . . . . 2.49 108.962 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.82 -170.93 43.44 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.254 -0.974 . . . . 0.39 111.855 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.721 ' HG2' HG12 ' A' ' 9' ' ' ILE . 33.6 mt-10 -136.99 167.89 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.282 . . . . 1.69 110.465 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -167.0 158.54 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.359 -0.608 . . . . 0.58 109.359 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.6 p -131.88 158.39 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 0.38 111.701 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -160.2 157.22 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.88 -0.785 . . . . 0.38 108.88 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -97.57 145.55 26.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.748 0.308 . . . . 2.26 110.301 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.84 158.01 34.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.923 -0.769 . . . . 0.38 108.923 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 m -95.05 -11.03 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.399 -0.52 . . . . 1.09 112.27 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.7 156.54 45.04 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.109 -0.33 . . . . 2.13 110.109 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.871 0.367 . . . . 0.59 110.881 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.01 -28.71 68.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.48 111.168 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -75.64 -28.35 58.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 0.46 110.982 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.29 71.83 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.379 0.609 . . . . 0.28 109.471 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -56.67 -65.42 0.62 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.82 -1.082 . . . . 1.29 110.08 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -48.08 -41.4 26.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.639 -1.164 . . . . 2.42 113.212 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.03 -48.12 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.961 0.41 . . . . 0.3 110.777 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.63 -20.55 64.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.11 111.418 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -66.09 -39.9 90.37 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.086 0.47 . . . . 1.09 109.875 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -72.7 -32.6 65.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 2.2 108.754 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.454 ' HE2' HD21 ' A' ' 10' ' ' LEU . 56.4 t80 -65.45 -52.65 51.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 1.24 110.553 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.76 74.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 0.22 110.152 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -63.91 -39.3 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.89 -0.595 . . . . 1.39 110.397 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.3 -27.37 67.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.001 -0.545 . . . . 1.78 111.086 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -93.36 -5.63 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.185 0.517 . . . . 1.78 110.636 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 14.73 77.27 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.783 -0.644 . . . . 0.37 113.596 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.94 123.18 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 117.303 0.552 . . . . 0.46 111.023 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -141.63 137.24 31.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.634 -0.712 . . . . 1.86 109.7 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.81 -170.15 41.9 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.925 -0.87 . . . . 0.43 110.925 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.51 147.57 52.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.978 0.389 . . . . 2.79 110.481 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -112.41 116.28 30.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.71 -0.677 . . . . 0.41 110.918 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.5 p -107.27 157.49 17.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.049 -0.523 . . . . 0.63 110.335 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -146.78 142.25 27.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 1.18 110.58 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -122.2 138.98 54.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.822 -1.177 . . . . 2.07 107.822 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.48 -30.84 21.7 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.529 -0.468 . . . . 2.28 111.419 -173.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.68 68.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.506 -0.315 . . . . 0.91 111.346 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.506 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 19.5 p -110.92 -17.48 13.3 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.812 1.042 . . . . 1.19 113.812 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 65.96 13.87 9.29 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.099 0.476 . . . . 2.08 110.911 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.63 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 11.5 m -77.42 123.52 26.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.51 112.031 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 15.9 m-85 -96.61 135.64 38.23 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.158 -1.053 . . . . 1.19 108.158 172.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.48 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 85.0 m -129.37 129.77 45.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 0.96 111.581 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.43 113.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.688 -0.856 . . . . 0.3 108.688 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -102.22 125.21 48.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.735 -0.666 . . . . 0.52 111.091 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 CA-C-N 116.005 -0.543 . . . . 2.56 110.78 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 109.207 -0.664 . . . . 22.94 109.207 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -52.12 153.39 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.79 1.66 . . . . 23.54 111.88 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -62.36 131.01 32.19 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.064 1.843 . . . . 25.03 111.229 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.56 -22.64 32.09 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.537 -0.84 . . . . 26.59 112.808 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -93.38 141.07 28.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.072 0.436 . . . . 26.61 110.61 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.674 ' HG2' ' HE2' ' A' ' 82' ' ' LYS . 6.8 tp10 -134.07 149.27 51.13 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.531 -0.544 . . . . 26.95 109.531 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -129.26 123.53 32.17 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.543 -0.299 . . . . 25.77 110.355 -177.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.674 ' HE2' ' HG2' ' A' ' 80' ' ' GLU . 63.2 mttm -146.11 157.34 43.84 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.003 -0.74 . . . . 28.23 109.003 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.68 150.92 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.23 -0.285 . . . . 29.77 110.23 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.1 p -78.58 -174.64 3.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.652 -0.499 . . . . 31.75 109.652 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.29 87.67 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.958 0.355 . . . . 34.32 111.958 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.72 7.27 24.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.828 0.347 . . . . 35.43 110.951 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.57 25.92 57.75 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.506 -0.854 . . . . 31.3 113.412 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.41 138.4 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.131 -0.692 . . . . 31.86 109.131 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -84.66 122.22 28.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.197 -0.456 . . . . 28.74 112.151 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -133.48 156.27 48.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.837 -0.801 . . . . 30.27 108.837 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -116.59 149.94 38.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 28.69 110.789 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 56.2 t -113.98 107.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 29.13 110.983 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.24 96.3 5.2 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.091 -0.707 . . . . 29.7 109.091 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -73.64 -14.72 61.22 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.319 -0.552 . . . . 29.9 110.961 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -75.07 -35.73 61.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 31.42 111.467 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 p -113.69 -1.97 13.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.072 0.463 . . . . 33.14 110.878 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 59.15 74.27 0.45 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.058 -0.974 . . . . 35.29 111.268 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 t -160.94 177.84 9.98 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.476 -1.238 . . . . 32.59 110.605 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.6 p -123.65 145.23 49.1 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.104 -0.702 . . . . 32.77 109.104 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 t -150.57 158.43 44.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.918 -0.489 . . . . 30.32 111.325 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 115.681 -0.69 . . . . 31.76 110.668 179.504 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.152 -0.314 . . . . 2.5 110.152 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 ptp -129.84 134.52 47.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.141 -1.059 . . . . 2.06 108.141 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -70.39 133.7 47.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 1.9 112.225 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -130.27 143.44 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.694 -0.854 . . . . 0.83 108.694 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.716 ' HB3' HG22 ' A' ' 20' ' ' THR . 5.2 ptpp? -133.01 156.64 46.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.017 0.437 . . . . 2.57 111.649 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.579 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 9.6 tp -132.73 137.1 46.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.155 -0.93 . . . . 0.33 109.449 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -116.25 121.59 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 0.62 108.865 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -89.49 108.84 19.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.411 -0.588 . . . . 0.25 109.411 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.659 ' CB ' HG23 ' A' ' 58' ' ' THR . 7.9 m120 -102.15 86.84 2.93 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.298 -0.865 . . . . 1.96 108.879 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.589 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -154.72 142.11 8.74 Favored Glycine 0 N--CA 1.438 -1.198 0 C-N-CA 119.91 -1.138 . . . . 0.91 111.928 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 mtpp -52.72 -27.88 19.54 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 123.947 0.899 . . . . 3.26 112.524 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.5 m -91.0 -26.48 19.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.742 0.306 . . . . 1.93 111.335 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -147.57 102.56 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 1.8 111.226 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 2.6 mptt -114.13 119.8 38.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.905 -0.776 . . . . 2.49 108.905 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.97 -167.35 38.61 Favored Glycine 0 CA--C 1.499 -0.945 0 N-CA-C 111.365 -0.694 . . . . 0.39 111.365 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -164.02 156.33 17.17 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.711 0.291 . . . . 1.69 110.362 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.1 t -152.1 172.24 16.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 0.58 109.63 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.716 HG22 ' HB3' ' A' ' 7' ' ' LYS . 20.1 p -132.5 157.81 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 0.38 111.951 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -150.92 148.4 28.37 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.777 -0.647 . . . . 0.38 109.409 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -96.5 104.02 15.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.832 -0.433 . . . . 2.26 109.832 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.14 158.38 17.47 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.571 -0.451 . . . . 0.38 110.446 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.02 7.15 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.538 0.209 . . . . 1.09 111.388 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -159.72 166.96 29.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.985 -0.746 . . . . 2.13 108.985 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.92 -57.85 3.54 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.951 0.352 . . . . 0.59 111.951 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -24.6 64.64 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.838 0.31 . . . . 0.48 111.838 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -67.21 -28.43 68.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.909 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -35.84 63.76 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.99 0.424 . . . . 0.28 110.148 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 7.1 tt0 -62.58 -60.26 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.408 -0.815 . . . . 1.29 109.965 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.61 -41.4 30.8 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.242 -0.89 . . . . 2.42 113.117 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.79 -50.44 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 122.265 -0.272 . . . . 0.3 111.36 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 4.3 m-85 -64.06 -22.0 66.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.577 0.214 . . . . 1.11 111.577 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.2 mtpt -70.51 -41.18 72.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.989 0.423 . . . . 1.09 109.908 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -65.61 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.882 -0.785 . . . . 2.2 108.882 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.414 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 34.1 t80 -65.13 -53.09 50.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.92 -1.037 . . . . 1.24 110.787 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.5 -30.06 70.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.16 0.505 . . . . 0.22 110.729 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -65.31 -25.29 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 1.39 110.853 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.19 -31.28 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.305 0.483 . . . . 1.78 112.305 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -92.75 -6.15 49.68 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.216 -0.594 . . . . 1.78 110.883 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.86 32.9 48.05 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.773 -0.648 . . . . 0.37 113.586 176.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.65 120.85 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.091 0.472 . . . . 0.46 110.319 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.06 138.54 46.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.81 -0.632 . . . . 1.86 109.763 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.26 -170.43 42.04 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.035 -0.826 . . . . 0.43 111.035 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.65 143.17 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.563 0.22 . . . . 2.79 110.434 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.595 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.5 m95 -110.55 101.32 10.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.382 0.611 . . . . 0.41 110.463 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 12.1 p -103.89 160.16 15.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 0.63 110.787 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -147.94 142.85 26.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.693 0.282 . . . . 1.18 110.841 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.75 144.54 50.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.449 -0.945 . . . . 2.07 108.449 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -90.16 -20.79 22.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.625 -0.43 . . . . 2.28 111.303 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.96 73.61 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.062 -0.255 . . . . 0.91 111.655 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.6 p -118.44 4.3 11.79 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.758 0.651 . . . . 1.19 112.758 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.93 47.34 23.35 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.533 0.682 . . . . 2.08 110.063 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -112.02 121.89 46.25 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.549 -0.751 . . . . 0.51 112.218 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 48.9 m-85 -87.94 130.54 34.9 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.763 -1.569 . . . . 1.19 106.763 171.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.48 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 30.6 m -125.38 126.02 44.34 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.851 -0.531 . . . . 0.96 111.605 -177.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.66 114.64 47.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.432 -0.951 . . . . 0.3 108.432 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.659 HG23 ' CB ' ' A' ' 11' ' ' ASN . 1.2 m -118.75 128.5 54.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 0.52 111.773 -174.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.7 . . . . 2.56 109.485 177.677 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 79' ' ' TRP . 4.4 mm? . . . . . 0 C--O 1.235 0.308 0 CA-C-O 119.833 -0.127 . . . . 22.94 110.831 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 75' ' ' LEU . 32.0 Cg_exo -65.5 159.55 47.28 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.33 2.02 . . . . 23.54 110.429 175.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.79 128.78 26.71 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.819 1.679 . . . . 25.03 111.09 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.93 -29.34 12.71 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.631 -0.795 . . . . 26.59 112.622 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.503 ' HB3' HD12 ' A' ' 75' ' ' LEU . 77.6 m95 -88.13 122.1 31.3 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.319 0.56 . . . . 26.61 109.954 177.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.6 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 23.7 mt-10 -110.56 149.5 30.3 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.482 -0.487 . . . . 26.95 110.977 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.477 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . 7.8 ttt -121.1 126.39 49.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 25.77 110.318 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.436 ' NZ ' HG21 ' A' ' 92' ' ' VAL . 45.4 mttp -143.18 158.08 43.94 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.307 -0.627 . . . . 28.23 109.307 -176.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -110.58 162.06 15.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.069 0.461 . . . . 29.77 111.979 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 p -103.28 176.05 5.27 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.632 -1.248 . . . . 31.75 107.632 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 p -80.85 8.06 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.889 -0.507 . . . . 34.32 112.332 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -109.75 -0.3 18.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.332 -0.618 . . . . 35.43 109.332 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.82 7.35 68.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.685 -0.688 . . . . 31.3 112.093 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.3 t -81.93 140.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.046 0.45 . . . . 31.86 110.925 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 28.74 110.763 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -122.45 156.07 34.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.308 -0.627 . . . . 30.27 109.308 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 81' ' ' MET . 86.1 m-85 -120.86 153.54 37.01 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.459 0.647 . . . . 28.69 111.396 -176.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.6 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 48.5 t -117.96 103.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.785 -1.098 . . . . 29.13 110.167 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.61 124.64 28.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.395 -1.335 . . . . 29.7 107.395 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -87.97 -12.38 44.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.41 0.893 . . . . 29.9 113.41 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -89.14 -36.7 15.56 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.618 -0.833 . . . . 31.42 111.332 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.5 p -90.07 -19.0 24.87 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.065 -0.397 . . . . 33.14 110.083 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 60.4 43.54 13.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.465 1.126 . . . . 35.29 109.445 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 m -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 113.077 -1.874 . . . . 32.59 108.995 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -88.21 143.14 27.22 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.128 0.422 . . . . 32.77 110.574 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.0 t -151.09 155.08 38.21 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.804 0.335 . . . . 30.32 110.691 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 C--N 1.326 -0.419 0 N-CA-C 109.366 -0.605 . . . . 31.76 109.366 177.671 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 109.765 -0.457 . . . . 2.5 109.765 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.7 mtp -102.23 138.76 38.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.861 -0.335 . . . . 2.06 110.208 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.81 118.32 23.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.279 -0.419 . . . . 1.9 110.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.93 152.57 20.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.83 109.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HB3' HG23 ' A' ' 54' ' ' THR . 79.2 tttt -117.12 136.29 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.01 -0.541 . . . . 2.57 110.292 -178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -118.98 141.8 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.575 -0.45 . . . . 0.33 110.35 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -123.86 113.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.943 -0.762 . . . . 0.62 108.943 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.2 mm? -87.32 109.52 19.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.563 -0.903 . . . . 0.25 108.563 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -103.74 87.75 2.89 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.962 -0.755 . . . . 1.96 108.962 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.17 -173.26 13.82 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.005 -1.093 . . . . 0.91 113.432 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HG2' ' H ' ' A' ' 13' ' ' LYS . 8.2 pttp -80.42 -60.37 2.35 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.326 -0.437 . . . . 3.26 112.103 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -94.05 -25.83 17.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.815 0.341 . . . . 1.93 110.632 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -120.49 106.25 11.63 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.395 -0.366 . . . . 1.8 111.875 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.85 137.96 45.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.438 -0.949 . . . . 2.49 108.438 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.43 -162.25 30.11 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.79 -0.719 . . . . 0.39 111.659 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.32 164.36 28.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 1.69 110.502 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 36' ' ' TYR . 8.9 t -161.75 168.37 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.93 -0.767 . . . . 0.58 108.93 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.6 p -137.62 152.8 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.53 0.205 . . . . 0.38 111.287 -176.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 t -154.58 156.21 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.395 -0.595 . . . . 0.38 109.395 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.6 139.76 34.79 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.833 -0.432 . . . . 2.26 109.833 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.46 151.64 29.19 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.16 -0.311 . . . . 0.38 110.16 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -97.02 -8.55 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.662 0.268 . . . . 1.09 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -137.47 158.78 43.67 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.453 -0.573 . . . . 2.13 109.453 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.79 -44.13 51.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.582 -0.525 . . . . 0.59 109.582 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.57 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -58.87 -40.86 85.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.5 -0.773 . . . . 0.48 111.008 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -67.9 -28.16 67.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 0.46 111.597 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.63 -38.17 67.82 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.294 0.569 . . . . 0.28 109.537 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 26.6 tt0 -60.02 -55.75 30.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.781 -1.1 . . . . 1.29 109.722 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.5 mmtp -50.11 -44.87 52.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.349 -0.841 . . . . 2.42 112.622 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -71.38 -48.15 55.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.078 0.466 . . . . 0.3 111.137 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.71 -22.38 65.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.789 -0.641 . . . . 1.11 111.77 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.7 mtpp -71.1 -41.48 70.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.916 -0.401 . . . . 1.09 109.916 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.41 -33.87 76.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.291 -0.633 . . . . 2.2 109.291 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.464 ' HE2' HD21 ' A' ' 10' ' ' LEU . 47.6 t80 -64.43 -50.25 68.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.631 -0.713 . . . . 1.24 110.554 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 0.22 109.949 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.17 -45.74 90.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 1.39 110.758 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.28 -23.94 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.78 111.261 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -88.94 -18.41 27.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 1.78 110.851 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.44 16.21 55.67 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.857 -0.687 . . . . 0.37 112.714 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.43 122.28 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 120.976 0.417 . . . . 0.46 110.42 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -144.66 139.46 28.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 1.86 109.705 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.62 -170.82 42.94 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.72 -0.952 . . . . 0.43 110.72 -176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.46 150.15 32.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.891 0.345 . . . . 2.79 110.343 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.64 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.1 m95 -114.12 107.71 16.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 0.41 111.482 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 p -100.9 154.92 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 0.63 110.176 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -156.19 154.47 30.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.18 110.692 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -134.2 138.68 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.003 -0.74 . . . . 2.07 109.003 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.597 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 36.7 t70 -90.39 5.0 49.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 2.28 111.341 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.47 -40.15 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.843 -0.536 . . . . 0.91 111.709 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -113.46 -3.35 13.72 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.296 0.85 . . . . 1.19 113.296 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER 61.28 29.17 18.52 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.035 0.445 . . . . 2.08 110.407 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.404 HG23 ' HB3' ' A' ' 7' ' ' LYS . 2.4 m -97.32 123.9 41.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.445 -0.343 . . . . 0.51 111.284 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.96 149.48 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.269 -0.641 . . . . 1.19 109.269 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.5 m -142.07 126.59 17.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.045 0.45 . . . . 0.96 111.309 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -106.12 112.9 41.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.155 -1.054 . . . . 0.3 108.155 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -104.31 126.36 51.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.601 -0.727 . . . . 0.52 112.004 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.315 -0.994 . . . . 2.56 108.315 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 110.057 -0.349 . . . . 22.94 110.057 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 16.5 Cg_exo -71.19 154.37 61.93 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.15 1.9 . . . . 23.54 111.146 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -49.88 124.37 12.4 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.915 2.41 . . . . 25.03 112.564 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.43 -25.46 24.41 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.663 -0.78 . . . . 26.59 113.974 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.481 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 77.8 m95 -87.17 137.88 31.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.795 0.797 . . . . 26.61 110.025 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.598 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 95.8 mt-10 -132.01 129.89 40.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.842 0.353 . . . . 26.95 110.521 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.9 ttt -94.86 129.54 41.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.093 -0.706 . . . . 25.77 109.093 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -143.77 157.36 44.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.683 -0.488 . . . . 28.23 109.683 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -116.09 146.4 42.25 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 110.218 -0.29 . . . . 29.77 110.218 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.475 ' OG1' ' HB ' ' A' ' 88' ' ' VAL . 58.4 p -82.9 -175.0 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.442 -0.577 . . . . 31.75 109.442 174.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -57.79 -48.19 80.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.306 0.484 . . . . 34.32 112.306 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.35 9.85 12.11 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.885 0.328 . . . . 35.43 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.07 24.5 48.18 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.653 -0.784 . . . . 31.3 113.983 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.475 ' HB ' ' OG1' ' A' ' 84' ' ' THR . 92.4 t -80.48 124.5 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.417 0.609 . . . . 31.86 109.487 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.1 117.84 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.721 -0.672 . . . . 28.74 111.424 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -131.14 154.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.19 -0.67 . . . . 30.27 109.19 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -112.32 145.82 39.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.296 0.57 . . . . 28.69 111.022 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 65.5 t -114.92 112.42 39.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.286 -0.87 . . . . 29.13 111.365 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.72 92.29 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.985 -1.117 . . . . 29.7 107.985 174.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 6.57 6.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.123 0.487 . . . . 29.9 110.452 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.27 -50.81 5.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.074 -0.512 . . . . 31.42 110.807 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 p -105.89 4.51 29.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.933 0.345 . . . . 33.14 111.933 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 60.51 76.98 0.34 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.859 0.838 . . . . 35.29 110.901 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.92 157.99 38.6 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.394 -1.275 . . . . 32.59 110.045 -176.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 p -123.27 132.7 54.11 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.808 -0.442 . . . . 32.77 109.808 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.0 t -139.56 158.52 43.98 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.327 0.584 . . . . 30.32 111.54 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 31.76 110.122 178.864 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 62.9 m170 . . . . . 0 N--CA 1.457 -0.088 0 N-CA-C 110.067 -0.346 . . . . 2.5 110.067 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mtp -136.24 134.7 38.37 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.431 -0.951 . . . . 2.06 108.431 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.543 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 6.6 tp-100 -79.6 135.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 1.9 111.317 -176.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -127.14 152.6 47.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.407 -0.815 . . . . 0.83 109.257 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 54' ' ' THR . 28.5 ttmt -132.89 133.31 43.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.461 -0.2 . . . . 2.57 110.461 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.8 tp -116.33 141.84 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.861 -0.422 . . . . 0.33 109.861 175.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.843 HG12 ' HG2' ' A' ' 18' ' ' GLU . 77.6 mt -118.15 123.28 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.97 -0.752 . . . . 0.62 108.97 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.4 mm? -92.61 106.0 18.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.575 -0.45 . . . . 0.25 110.088 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -96.68 87.46 4.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.697 -0.853 . . . . 1.96 108.697 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.36 -166.82 11.78 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.168 -0.924 . . . . 0.91 111.854 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -90.24 -57.13 2.95 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 111.809 0.3 . . . . 3.26 111.809 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -101.51 5.55 41.9 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.172 0.51 . . . . 1.93 110.729 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.48 98.77 4.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.641 -0.709 . . . . 1.8 109.533 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 18.7 mtpp -133.42 110.56 10.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.499 -0.773 . . . . 2.49 109.244 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.07 -165.72 35.37 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.912 -0.661 . . . . 0.39 111.81 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.843 ' HG2' HG12 ' A' ' 9' ' ' ILE . 26.4 mt-10 -138.34 168.29 20.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.761 0.28 . . . . 1.69 110.894 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.42 HG21 ' CZ ' ' A' ' 36' ' ' TYR . 9.3 t -163.92 149.86 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 0.58 109.543 175.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.543 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 38.8 p -116.84 163.46 16.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.595 -0.275 . . . . 0.38 110.951 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -158.35 153.23 25.06 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.638 -0.505 . . . . 0.38 109.638 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 30.9 mt-10 -98.23 105.66 17.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.573 -0.285 . . . . 2.26 110.265 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.83 152.34 47.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.856 -0.424 . . . . 0.38 109.856 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' HG22 ' A' ' 24' ' ' VAL . 7.1 p -101.92 0.93 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-O 121.429 0.633 . . . . 1.09 110.896 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -146.39 157.06 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 2.13 111.145 -176.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.07 46.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 0.59 111.443 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.6 70.74 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.613 -0.514 . . . . 0.48 109.613 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -64.61 -29.5 70.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.714 . . . . 0.46 110.249 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.33 -38.17 63.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.131 0.491 . . . . 0.28 109.687 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.607 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 16.8 tt0 -61.02 -53.75 53.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.409 -0.814 . . . . 1.29 109.488 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -54.7 -44.85 73.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.035 0.754 . . . . 2.42 113.035 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.54 -48.33 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.846 0.355 . . . . 0.3 111.215 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.468 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 3.1 m-85 -70.55 -21.86 62.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.58 0.585 . . . . 1.11 112.58 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 45.7 mtpt -77.16 -39.22 49.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.551 -0.537 . . . . 1.09 109.551 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.04 93.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.496 -1.298 . . . . 2.2 107.496 174.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.468 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 34.3 t80 -60.84 -55.26 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.132 -1.395 . . . . 1.24 110.725 175.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.0 67.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.363 0.601 . . . . 0.22 110.789 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.63 -26.81 65.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 1.39 110.408 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -75.07 -30.6 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 1.78 111.021 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -100.17 2.73 43.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.9 0.381 . . . . 1.78 110.857 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.56 36.47 93.19 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 115.541 -0.754 . . . . 0.37 113.858 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.69 109.23 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.212 0.53 . . . . 0.46 110.517 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -129.68 137.93 50.89 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.565 -0.743 . . . . 1.86 109.229 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.05 -171.53 43.58 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.654 -0.979 . . . . 0.43 110.654 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 143.64 52.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 2.79 110.731 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.552 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.6 m95 -113.12 141.36 47.0 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.41 111.204 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -135.91 159.1 42.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 0.63 109.826 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -143.9 131.12 20.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.798 0.332 . . . . 1.18 111.839 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -108.47 131.8 54.44 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.128 -1.434 . . . . 2.07 107.128 174.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -85.37 -24.76 27.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.226 -0.59 . . . . 2.28 111.724 -172.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.25 -30.29 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.869 0.366 . . . . 0.91 111.038 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 p -111.0 -6.9 14.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.085 0.772 . . . . 1.19 113.085 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 56.35 32.82 21.21 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.78 0.8 . . . . 2.08 110.001 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 78.5 m -102.19 114.46 28.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.766 -1.106 . . . . 0.51 112.486 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 54.5 m-85 -85.48 139.61 31.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.433 -0.951 . . . . 1.19 108.433 171.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 m -127.16 131.48 50.72 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.611 -0.435 . . . . 0.96 110.957 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -113.63 116.25 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.971 -0.751 . . . . 0.3 108.971 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m -102.13 119.6 39.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.691 -0.686 . . . . 0.52 111.159 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.738 -0.664 . . . . 2.56 109.346 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.0 mm? . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.79 -0.448 . . . . 22.94 109.79 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.86 147.36 94.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.008 1.805 . . . . 23.54 111.294 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -45.07 127.27 8.52 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.013 2.475 . . . . 25.03 112.491 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.16 -26.33 24.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.024 -1.084 . . . . 26.59 113.437 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -90.53 140.93 29.27 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.488 0.644 . . . . 26.61 111.2 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -125.15 150.86 46.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.761 -0.459 . . . . 26.95 109.761 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -128.78 132.37 47.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.363 -0.606 . . . . 25.77 109.363 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -146.42 157.06 43.72 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 110.094 -0.335 . . . . 28.23 110.094 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.82 153.92 23.72 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.849 0.357 . . . . 29.77 111.241 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 88' ' ' VAL . 82.3 p -91.65 -169.35 2.27 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.146 -0.479 . . . . 31.75 110.096 175.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -62.03 -49.04 77.61 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.296 0.48 . . . . 34.32 112.296 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -83.65 9.12 12.35 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.35 -0.386 . . . . 35.43 111.656 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.66 58.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.483 -0.865 . . . . 31.3 113.22 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.446 ' HB ' ' OG1' ' A' ' 84' ' ' THR . 95.3 t -80.95 123.41 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.6 -0.518 . . . . 31.86 109.6 178.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -84.69 130.81 34.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 28.74 111.551 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -135.6 160.78 37.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.926 -0.768 . . . . 30.27 108.926 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.66 151.62 31.54 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.036 0.446 . . . . 28.69 111.483 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.62 130.89 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 29.13 111.128 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.6 118.83 30.35 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.567 -0.901 . . . . 29.7 108.567 175.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -76.81 -20.57 56.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 118.215 0.461 . . . . 29.9 111.382 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -78.22 -47.07 18.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.347 -0.388 . . . . 31.42 111.199 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.2 p -92.32 -11.97 33.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.296 -0.261 . . . . 33.14 110.296 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 62.93 36.17 12.87 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.588 0.709 . . . . 35.29 109.601 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -110.64 161.85 15.32 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.602 -1.181 . . . . 32.59 110.749 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.9 p -110.05 143.25 40.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.182 -1.044 . . . . 32.77 108.182 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -141.43 134.1 28.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 30.32 110.342 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 31.76 110.42 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.332 -0.618 . . . . 2.5 109.332 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 ttm -131.01 162.57 29.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.804 -1.184 . . . . 2.06 107.804 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -95.41 108.49 20.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.721 0.296 . . . . 1.9 111.179 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -101.82 131.78 47.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.554 -0.906 . . . . 0.83 108.554 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.592 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 7.8 ptpp? -109.5 149.47 29.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 2.57 111.136 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.2 tp -125.93 136.71 53.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.343 -0.844 . . . . 0.33 110.183 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.8 mt -121.69 115.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.104 -0.702 . . . . 0.62 109.104 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -90.93 117.36 29.46 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.907 -0.775 . . . . 0.25 108.907 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -118.35 84.54 2.2 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.623 0.725 . . . . 1.96 109.332 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.7 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -140.37 153.8 23.71 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.514 -1.221 . . . . 0.91 110.544 175.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' H ' ' HG3' ' A' ' 13' ' ' LYS . 15.2 mttp -49.69 -40.17 39.28 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 123.831 0.852 . . . . 3.26 111.86 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -99.94 2.42 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 1.93 111.611 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.18 99.11 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 1.8 110.66 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.7 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 23.0 mtpp -128.79 109.25 11.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.838 -0.619 . . . . 2.49 109.374 177.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.45 -169.01 41.0 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 110.611 -0.996 . . . . 0.39 110.611 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -137.99 165.69 25.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.769 0.785 . . . . 1.69 111.789 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.6 t -156.03 175.22 14.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.864 -1.062 . . . . 0.58 108.969 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -139.72 159.57 41.86 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.798 0.295 . . . . 0.38 111.798 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 33' ' ' PHE . 4.6 t -152.01 156.5 40.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 0.38 110.181 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -106.8 118.77 37.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.777 -0.453 . . . . 2.26 109.777 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.33 158.66 43.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.334 -0.617 . . . . 0.38 109.334 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.77 7.28 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 1.09 111.398 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -154.03 155.86 36.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.009 -0.737 . . . . 2.13 109.009 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.42 -40.42 43.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.814 0.34 . . . . 0.59 110.747 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.72 -34.95 79.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.146 -0.479 . . . . 0.48 110.875 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -69.25 -29.25 67.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.86 -0.609 . . . . 0.46 110.827 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.35 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 0.28 109.38 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -61.53 -50.03 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.934 -1.03 . . . . 1.29 110.715 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 59.6 mmtt -61.77 -38.31 87.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.762 -0.654 . . . . 2.42 111.705 -175.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.1 t -74.14 -48.6 36.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.3 111.235 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -70.09 -23.88 63.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 1.11 112.094 -177.814 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 42.0 mtpt -73.23 -30.87 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.906 -0.496 . . . . 1.09 110.537 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 15.4 tm0? -76.16 -32.08 58.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.757 -1.201 . . . . 2.2 107.757 174.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.479 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 43.1 t80 -65.88 -50.14 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.197 -0.91 . . . . 1.24 110.59 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 -31.17 71.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.764 -0.653 . . . . 0.22 109.638 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 35' ' ' GLN . 5.9 t30 -59.46 -48.1 82.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.278 -0.874 . . . . 1.39 110.31 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -70.7 -10.53 59.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 1.78 111.543 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -99.69 -3.86 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.276 -0.42 . . . . 1.78 110.275 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.09 78.47 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.37 113.317 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.67 118.41 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 117.127 0.464 . . . . 0.46 110.992 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -136.13 123.54 22.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.52 -0.764 . . . . 1.86 109.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.24 -171.06 38.92 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.607 -0.806 . . . . 0.43 111.542 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -59.91 143.93 50.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.79 111.358 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.487 ' CZ2' ' HG3' ' A' ' 34' ' ' LYS . 3.9 m95 -115.89 112.61 22.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.41 110.951 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 p -106.45 153.84 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.836 -0.62 . . . . 0.63 110.578 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 54' ' ' THR . 29.1 t80 -150.46 151.5 32.82 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.269 0.355 . . . . 1.18 110.624 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -140.34 128.3 22.05 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.149 -1.056 . . . . 2.07 108.149 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -77.24 -9.55 58.87 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.128 0.418 . . . . 2.28 112.128 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.62 -38.06 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.543 -0.463 . . . . 0.91 111.852 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.3 p -106.92 -8.04 16.81 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.406 0.521 . . . . 1.19 112.406 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 59.55 36.36 22.81 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.186 0.517 . . . . 2.08 109.862 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.592 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.2 m -101.97 129.23 48.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.766 -0.652 . . . . 0.51 112.174 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -110.29 135.48 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.908 -0.775 . . . . 1.19 108.908 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.7 m -131.29 133.6 45.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.86 -0.336 . . . . 0.96 111.193 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.11 118.88 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.619 -0.882 . . . . 0.3 108.619 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -115.16 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.818 -0.628 . . . . 0.52 111.656 -174.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' HG3' ' A' ' 13' ' ' LYS . 42.9 mt-10 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 2.56 110.808 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.237 0.422 0 N-CA-C 110.288 -0.264 . . . . 22.94 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.5 ' CB ' ' HD2' ' A' ' 77' ' ' PRO . 8.3 Cg_exo -67.43 173.63 8.47 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.042 1.828 . . . . 23.54 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.5 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 59.7 Cg_endo -61.97 129.71 28.34 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.587 2.191 . . . . 25.03 111.738 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.19 34.97 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 120.671 -0.776 . . . . 26.59 113.965 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -86.07 135.71 33.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 117.768 0.784 . . . . 26.61 110.154 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -123.41 132.72 54.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.789 0.328 . . . . 26.95 111.274 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.3 ttt -105.33 119.01 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.907 -1.146 . . . . 25.77 107.907 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -140.57 157.79 44.95 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.502 -0.479 . . . . 28.23 110.31 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -108.72 149.49 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.21 -0.293 . . . . 29.77 110.21 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -81.1 -178.42 6.89 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.319 -0.993 . . . . 31.75 108.319 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 p -78.67 8.1 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.095 0.474 . . . . 34.32 111.316 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.43 -2.39 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.528 -0.545 . . . . 35.43 109.528 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.01 21.67 45.15 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.765 -0.731 . . . . 31.3 113.089 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.6 t -107.45 127.22 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.855 0.359 . . . . 31.86 111.04 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.605 ' NH1' ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.79 140.76 53.39 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 28.74 112.046 179.634 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -150.8 159.35 44.59 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.813 -0.81 . . . . 30.27 108.813 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.605 ' HE1' ' NH1' ' A' ' 89' ' ' ARG . 98.0 m-85 -119.24 149.77 41.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.225 0.536 . . . . 28.69 110.728 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.9 t -108.98 116.53 52.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.728 -0.669 . . . . 29.13 109.994 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.547 ' HB3' HG22 ' A' ' 98' ' ' THR . 8.3 t70 -83.42 133.67 34.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.109 -1.071 . . . . 29.7 108.109 174.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -89.86 -20.56 23.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.83 0.678 . . . . 29.9 112.83 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -82.29 -35.56 27.88 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.185 -0.606 . . . . 31.42 111.794 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 p -102.07 -12.61 17.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.096 0.474 . . . . 33.14 109.797 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 57.38 75.42 0.37 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 114.8 -1.091 . . . . 35.29 110.518 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.547 HG22 ' HB3' ' A' ' 93' ' ' ASP . 4.8 t -143.17 168.76 19.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.643 -1.162 . . . . 32.59 110.726 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -114.34 101.58 9.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.742 -1.207 . . . . 32.77 107.742 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 t -119.34 152.74 36.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.315 0.579 . . . . 30.32 111.895 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.529 -0.759 . . . . 31.76 109.172 177.769 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.4 m170 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 108.874 -0.787 . . . . 2.5 108.874 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.4 mmm -100.04 135.46 41.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.399 -0.593 . . . . 2.06 109.399 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -91.06 120.16 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.781 -0.367 . . . . 1.9 110.774 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.35 142.09 47.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.732 -0.84 . . . . 0.83 108.732 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.1 ptmt -112.67 147.77 36.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.847 0.356 . . . . 2.57 110.483 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -129.64 143.21 50.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.099 -0.501 . . . . 0.33 110.081 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.453 HG22 ' OD1' ' A' ' 11' ' ' ASN . 81.2 mt -125.53 124.08 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.719 -0.845 . . . . 0.62 108.719 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.649 ' O ' ' HD2' ' A' ' 16' ' ' LYS . 1.3 mm? -94.3 93.24 7.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.209 -0.663 . . . . 0.25 109.209 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.608 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -88.47 86.75 7.09 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.432 -0.951 . . . . 1.96 108.432 178.244 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.604 ' H ' ' HD2' ' A' ' 16' ' ' LYS . . . -153.15 135.57 4.93 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.297 -1.121 . . . . 0.91 110.297 177.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -57.88 -19.93 33.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.093 0.447 . . . . 3.26 111.541 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -30.63 47.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.319 -0.4 . . . . 1.93 110.805 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 99.11 1.34 Allowed 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.163 -0.31 . . . . 1.8 110.163 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HD2' ' O ' ' A' ' 10' ' ' LEU . 9.0 mmmm -102.88 120.23 40.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.112 0.482 . . . . 2.49 109.94 175.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.76 171.79 42.39 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.306 -0.861 . . . . 0.39 111.116 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -131.83 161.25 33.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.219 -0.289 . . . . 1.69 110.219 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.6 t -159.97 173.84 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.241 -0.436 . . . . 0.58 110.354 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.6 p -133.84 161.97 33.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.324 -0.398 . . . . 0.38 110.125 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.34 156.49 35.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.15 -0.315 . . . . 0.38 110.15 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.71 118.79 33.94 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.419 . . . . 2.26 109.867 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.8 153.63 50.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.18 -0.674 . . . . 0.38 109.18 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.22 8.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 1.09 111.262 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.482 ' HB3' ' OG1' ' A' ' 28' ' ' THR . 19.5 t70 -157.1 158.66 36.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.321 -0.622 . . . . 2.13 109.321 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.33 -50.24 19.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.464 -0.335 . . . . 0.59 111.389 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.24 -26.82 67.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.212 0.53 . . . . 0.48 110.025 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 16.4 m -72.3 -28.47 63.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.297 -0.865 . . . . 0.46 110.693 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.14 65.29 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.272 -0.64 . . . . 0.28 109.272 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 8.4 tt0 -59.26 -59.16 5.9 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.072 -0.967 . . . . 1.29 109.57 177.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.81 ' HE2' ' HA ' ' A' ' 31' ' ' LYS . 10.8 mmpt? -49.0 -41.78 35.66 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 2.42 112.515 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 28' ' ' THR . 91.6 t -73.11 -52.0 23.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.818 0.342 . . . . 0.3 111.227 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.481 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.1 m-85 -66.78 -24.08 66.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.866 0.321 . . . . 1.11 111.866 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.618 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.4 mtpt -69.87 -39.68 76.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.865 -0.42 . . . . 1.09 109.865 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -66.24 -31.51 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.814 -0.81 . . . . 2.2 108.814 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.481 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 26.6 t80 -70.05 -50.56 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.89 -1.05 . . . . 1.24 110.569 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.37 -37.08 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.95 -0.568 . . . . 0.22 110.431 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.34 -38.03 87.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.789 . . . . 1.39 110.222 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.04 -26.6 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 1.78 111.151 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -89.28 -17.45 28.94 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.228 -0.442 . . . . 1.78 110.664 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.93 10.18 61.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.841 -0.695 . . . . 0.37 112.603 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -95.27 116.42 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.867 0.365 . . . . 0.46 110.576 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -138.52 136.2 35.86 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.957 -0.757 . . . . 1.86 108.957 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.16 -170.09 41.63 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.95 -0.86 . . . . 0.43 110.95 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.592 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 11.2 pt-20 -54.94 141.18 34.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 2.79 110.681 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.618 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.7 m95 -112.56 122.31 47.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.936 0.398 . . . . 0.41 109.987 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 p -123.9 158.07 32.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.616 -0.72 . . . . 0.63 110.041 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -149.98 150.55 31.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 1.18 110.657 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -130.6 135.71 48.15 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.847 -0.797 . . . . 2.07 108.847 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -77.3 -29.66 53.8 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.763 0.316 . . . . 2.28 111.41 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.58 63.91 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.103 0.409 . . . . 0.91 112.103 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.6 p -104.37 -11.61 17.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.312 0.856 . . . . 1.19 113.312 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.92 31.24 20.31 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.424 0.631 . . . . 2.08 109.848 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.447 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 7.9 m -99.48 122.65 42.87 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.563 -0.744 . . . . 0.51 111.987 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 42.4 m-85 -93.2 134.0 35.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.588 -1.264 . . . . 1.19 107.588 171.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.0 m -132.19 131.81 42.54 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.365 -0.534 . . . . 0.96 111.655 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.54 123.75 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.217 -1.031 . . . . 0.3 108.217 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.592 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 5.5 m -118.13 126.66 52.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.654 0.613 . . . . 0.52 112.654 -173.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 107.117 -1.438 . . . . 2.56 107.117 173.084 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.236 0.347 0 N-CA-C 109.944 -0.391 . . . . 22.94 109.944 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.601 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.4 Cg_exo -72.53 149.07 49.08 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.073 1.849 . . . . 23.54 111.026 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -47.12 124.81 9.42 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.881 2.387 . . . . 25.03 112.298 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.19 -30.56 9.63 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.703 -0.681 . . . . 26.59 112.631 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.601 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -93.52 144.72 25.1 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.451 -0.574 . . . . 26.61 109.451 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -142.61 158.65 43.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.498 -0.481 . . . . 26.95 110.015 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.703 -0.68 . . . . 25.77 109.572 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -147.46 156.18 42.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.809 -0.441 . . . . 28.23 109.809 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -102.91 146.25 28.6 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.962 -0.385 . . . . 29.77 109.962 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.7 p -77.69 179.42 6.62 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.95 -0.759 . . . . 31.75 108.95 175.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 p -76.05 11.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 34.32 111.611 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -121.54 -2.52 9.42 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.401 -0.818 . . . . 35.43 109.139 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.69 21.87 52.1 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.345 -0.843 . . . . 31.3 113.236 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 68.8 t -96.79 142.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 31.86 110.999 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -86.29 124.36 32.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 28.74 111.994 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -134.1 154.48 51.16 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.807 -0.357 . . . . 30.27 110.102 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -108.07 141.7 39.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.079 0.466 . . . . 28.69 111.012 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.47 120.64 65.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.837 -0.62 . . . . 29.13 110.983 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.78 115.2 27.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.962 -1.125 . . . . 29.7 107.962 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -79.83 -5.58 55.71 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.877 0.695 . . . . 29.9 112.877 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.454 ' OD1' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -92.32 -34.59 14.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.557 -0.457 . . . . 31.42 111.296 -178.265 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.454 HG23 ' OD1' ' A' ' 95' ' ' ASN . 39.9 p -108.18 -7.97 15.88 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 122.1 -0.375 . . . . 33.14 110.922 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 97' ' ' ARG . 17.0 mtp180 62.61 30.08 16.97 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.554 1.168 . . . . 35.29 111.187 177.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.3 p -104.35 156.11 18.2 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.406 -1.724 . . . . 32.59 110.776 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 p -112.57 104.21 12.3 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.235 -0.283 . . . . 32.77 110.235 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.4 t -96.02 146.86 24.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.024 0.44 . . . . 30.32 110.193 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.808 -0.441 . . . . 31.76 109.808 -179.327 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 120.472 0.177 . . . . 2.5 111.057 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.3 mtp -114.93 137.89 51.46 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.578 -0.527 . . . . 2.06 109.578 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.406 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 31.1 tt0 -74.95 115.41 14.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.376 -0.374 . . . . 1.9 111.662 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -111.49 143.3 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.572 -0.899 . . . . 0.83 108.572 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HB2' HG23 ' A' ' 54' ' ' THR . 29.3 mttt -116.52 162.91 16.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.392 -0.523 . . . . 2.57 111.718 -177.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.447 HD22 ' CG ' ' A' ' 33' ' ' PHE . 23.5 tp -145.91 125.6 13.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.185 -0.916 . . . . 0.33 111.237 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mp -113.24 119.69 61.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 108.85 -0.796 . . . . 0.62 108.85 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.45 109.67 21.06 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.583 -0.525 . . . . 0.25 109.583 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -103.58 88.42 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 1.96 109.78 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.614 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -136.6 126.84 3.9 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.844 -0.902 . . . . 0.91 110.844 178.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -48.67 -30.26 5.29 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.629 0.974 . . . . 3.26 113.629 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -95.05 -42.06 8.81 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.78 -0.368 . . . . 1.93 111.473 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -129.99 109.6 11.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.981 -0.377 . . . . 1.8 109.981 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -113.8 155.89 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.352 -0.981 . . . . 2.49 108.352 176.332 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.29 -173.03 45.89 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.596 -0.812 . . . . 0.39 111.848 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -164.94 150.45 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.8 0.333 . . . . 1.69 110.541 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 t -163.41 178.78 7.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.077 -0.51 . . . . 0.58 110.921 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.4 p -138.35 159.46 42.01 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.4 -0.364 . . . . 0.38 111.164 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -149.54 156.78 42.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.901 -0.407 . . . . 0.38 109.901 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -105.42 109.17 21.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.111 -0.495 . . . . 2.26 110.137 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.66 160.25 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.708 -0.479 . . . . 0.38 109.708 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 m -109.12 7.85 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 1.09 111.887 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -143.78 144.45 31.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.203 -0.199 . . . . 2.13 110.801 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.37 90.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.59 110.287 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 31' ' ' LYS . . . -61.61 -40.5 95.06 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.868 -0.605 . . . . 0.48 110.831 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 m -65.78 -34.16 77.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.507 -0.315 . . . . 0.46 111.154 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.31 78.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.059 -0.719 . . . . 0.28 109.059 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.9 tt0 -65.93 -57.27 8.23 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.795 -1.093 . . . . 1.29 109.669 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 27.9 mtpp -50.35 -46.69 55.92 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.251 0.834 . . . . 2.42 113.251 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.9 t -72.2 -46.65 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.3 110.947 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.447 ' CG ' HD22 ' A' ' 8' ' ' LEU . 2.2 m-85 -69.86 -24.22 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.413 -0.358 . . . . 1.11 111.802 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 33.4 mtpt -67.31 -46.27 74.02 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 121.021 -0.272 . . . . 1.09 110.439 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -64.58 -33.18 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.228 -1.027 . . . . 2.2 108.228 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -65.0 -53.99 37.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.104 -0.953 . . . . 1.24 110.62 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.32 87.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.681 . . . . 0.22 110.918 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -62.65 -34.38 76.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 1.39 110.231 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 1.78 110.628 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -76.3 -12.54 60.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.023 0.44 . . . . 1.78 110.471 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.18 10.64 57.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.05 -0.595 . . . . 0.37 112.716 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.15 100.55 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 121.762 0.791 . . . . 0.46 110.857 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -129.18 101.49 6.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.781 -1.099 . . . . 1.86 108.875 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -171.27 14.5 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.61 -0.805 . . . . 0.43 111.417 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 146.72 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 2.79 110.884 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.9 m95 -110.3 131.29 55.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.41 111.573 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 138.85 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.656 -0.868 . . . . 0.63 108.656 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.421 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 36.0 t80 -136.0 153.49 51.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.103 0.478 . . . . 1.18 111.343 -176.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -132.24 130.04 40.42 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.879 -1.156 . . . . 2.07 107.879 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.44 -13.47 46.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.289 -0.564 . . . . 2.28 111.011 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.55 -33.1 62.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 0.91 111.348 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -116.47 -11.14 11.17 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.82 1.045 . . . . 1.19 113.82 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HA ' ' HE2' ' A' ' 48' ' ' TYR . 13.9 mptt 66.85 23.09 10.07 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.319 0.581 . . . . 2.08 111.221 -177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 7' ' ' LYS . 3.4 m -88.6 122.63 32.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.715 -0.675 . . . . 0.51 111.251 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 45.2 m-85 -102.53 137.31 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.745 -0.835 . . . . 1.19 108.745 174.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -128.26 127.63 43.18 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.478 -0.328 . . . . 0.96 110.599 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -109.13 117.66 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.81 -0.811 . . . . 0.3 108.81 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 m -105.44 124.42 49.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.52 111.562 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 108.029 -1.1 . . . . 2.56 108.029 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.231 0.116 0 N-CA-C 110.532 -0.173 . . . . 22.94 110.532 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -70.64 147.44 57.2 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.856 1.704 . . . . 23.54 110.789 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.45 127.0 15.03 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.806 2.337 . . . . 25.03 111.849 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.62 23.79 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.329 -0.938 . . . . 26.59 113.198 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -89.46 137.53 32.25 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.472 -0.566 . . . . 26.61 109.472 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -123.3 143.42 50.09 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.216 0.531 . . . . 26.95 110.99 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 55.1 ttp -113.49 112.47 23.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.124 -0.944 . . . . 25.77 108.8 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -136.99 155.31 49.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.243 -0.583 . . . . 28.23 110.141 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -122.17 152.77 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.09 -0.337 . . . . 29.77 110.09 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.7 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.371 -0.974 . . . . 31.75 108.371 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 m -79.79 15.99 1.25 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.071 0.462 . . . . 34.32 111.95 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -122.58 0.01 9.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.185 -0.461 . . . . 35.43 110.543 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.74 11.92 59.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.512 -0.851 . . . . 31.3 112.661 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.5 t -89.14 126.51 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.687 -0.486 . . . . 31.86 109.687 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -94.74 122.24 37.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.032 -0.531 . . . . 28.74 111.221 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -126.67 151.32 48.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.609 -0.515 . . . . 30.27 109.609 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -118.07 145.8 44.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.823 -0.436 . . . . 28.69 109.823 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -113.65 112.22 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.919 -0.582 . . . . 29.13 111.251 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.46 90.86 5.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.641 -0.874 . . . . 29.7 108.641 175.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -75.32 -4.09 37.2 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.801 -0.562 . . . . 29.9 110.999 -177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -73.69 -48.82 29.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.027 0.442 . . . . 31.42 110.48 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 p -104.37 -7.33 20.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 33.14 111.012 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 65.42 77.45 0.3 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.937 0.875 . . . . 35.29 111.348 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.8 t -158.53 171.65 19.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.691 -1.14 . . . . 32.59 109.543 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -123.06 143.43 49.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.88 -0.415 . . . . 32.77 109.88 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.4 t -147.29 156.7 43.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.927 -0.309 . . . . 30.32 110.429 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.34 -0.615 . . . . 31.76 109.34 178.577 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.3 m80 . . . . . 0 CA--C 1.515 -0.383 0 N-CA-C 109.824 -0.436 . . . . 2.5 109.824 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.6 tpt -122.63 149.91 43.37 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.385 -1.339 . . . . 2.06 107.385 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -86.48 102.49 14.13 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.725 -0.39 . . . . 1.9 110.35 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 23' ' ' ALA . 57.0 m-85 -90.52 141.75 28.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.316 -0.624 . . . . 0.83 109.316 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.609 ' HD3' ' N ' ' A' ' 8' ' ' LEU . 3.9 tmtm? -120.06 146.86 45.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.326 -0.852 . . . . 2.57 109.69 -173.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.609 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 12.6 tp -141.69 142.64 33.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.33 110.754 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -125.27 124.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 108.763 -0.828 . . . . 0.62 108.763 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.12 99.27 12.11 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 120.169 -0.612 . . . . 0.25 109.449 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 3.6 m-80 -87.25 86.76 7.3 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.069 -1.086 . . . . 1.96 108.069 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.63 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -130.77 122.15 3.46 Favored Glycine 0 C--O 1.221 -0.671 0 CA-C-N 115.609 -0.723 . . . . 0.91 111.311 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -45.54 -40.83 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.76 1.022 . . . . 3.26 113.76 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.3 m -83.72 -42.29 16.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.72 -0.392 . . . . 1.93 111.56 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.6 tp -133.74 115.37 14.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.627 0.251 . . . . 1.8 110.741 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -115.73 148.28 39.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.235 -0.654 . . . . 2.49 109.235 178.113 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.9 -172.66 44.92 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.823 -0.703 . . . . 0.39 111.518 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -158.66 154.53 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.939 0.37 . . . . 1.69 111.252 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -152.9 -178.71 7.08 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.765 -0.652 . . . . 0.58 110.388 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.3 p -140.79 164.2 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.127 -0.488 . . . . 0.38 110.325 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -156.5 156.56 33.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.715 0.293 . . . . 0.38 110.515 176.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -94.87 99.83 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 2.26 109.935 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . . . -124.95 158.12 34.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.861 -0.422 . . . . 0.38 109.861 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.9 m -109.22 7.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.397 0.517 . . . . 1.09 112.397 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -159.03 160.35 35.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.835 -0.346 . . . . 2.13 111.296 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.43 -45.72 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.59 111.51 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.48 110.633 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -65.41 -34.37 78.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.46 110.65 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.5 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.094 0.474 . . . . 0.28 109.89 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -62.44 -58.58 7.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.355 -0.839 . . . . 1.29 109.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -48.64 -47.21 40.52 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.602 -0.726 . . . . 2.42 112.785 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.37 -48.62 66.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.732 0.301 . . . . 0.3 111.603 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.587 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 4.4 m-85 -70.67 -20.71 62.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.413 -0.358 . . . . 1.11 111.892 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 30.8 mtpt -70.92 -42.61 69.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.947 -0.39 . . . . 1.09 109.947 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -43.3 95.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.837 -1.171 . . . . 2.2 107.837 175.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 27.1 t80 -57.14 -50.74 71.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.339 -1.755 . . . . 1.24 111.414 178.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.82 -34.14 71.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.22 110.794 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.83 -40.26 94.67 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.875 -0.602 . . . . 1.39 110.404 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.92 -26.66 66.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 1.78 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -91.51 -4.5 55.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.065 -0.516 . . . . 1.78 110.504 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.5 78.04 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.432 -0.804 . . . . 0.37 113.193 177.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -91.02 123.53 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 117.297 0.549 . . . . 0.46 110.634 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -139.64 132.96 29.97 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.532 -0.914 . . . . 1.86 108.532 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.77 -171.55 43.74 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.36 -0.924 . . . . 0.43 111.595 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.71 150.97 42.44 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.66 0.267 . . . . 2.79 110.468 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.7 m95 -114.44 138.72 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.41 111.419 -177.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.31 163.95 28.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.297 -0.865 . . . . 0.63 110.233 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -154.29 148.0 25.36 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 110.131 -0.322 . . . . 1.18 110.131 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.69 153.31 37.09 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.826 -1.175 . . . . 2.07 107.826 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -90.34 -17.43 27.33 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.714 0.635 . . . . 2.28 112.714 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.55 -49.65 7.4 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.744 -0.597 . . . . 0.91 112.153 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -104.8 -5.25 21.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 112.633 0.605 . . . . 1.19 112.633 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.95 36.4 18.74 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.496 0.665 . . . . 2.08 109.927 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.459 ' HA ' ' HB3' ' A' ' 7' ' ' LYS . 46.3 m -83.81 108.83 17.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.19 -0.913 . . . . 0.51 111.199 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 24.2 m-85 -83.62 126.97 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.25 -0.648 . . . . 1.19 109.25 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.76 121.68 41.43 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.35 -0.386 . . . . 0.96 111.576 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -108.55 110.52 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.854 -1.165 . . . . 0.3 107.854 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.416 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 9.9 m -103.86 113.64 27.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.617 -0.72 . . . . 0.52 112.103 -173.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 107.761 -1.2 . . . . 2.56 107.761 176.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.235 0.301 0 N-CA-C 109.21 -0.663 . . . . 22.94 109.21 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 45.5 Cg_exo -57.61 144.0 93.57 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 120.815 1.01 . . . . 23.54 110.617 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.14 124.37 10.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.989 2.459 . . . . 25.03 112.738 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.27 -24.56 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.776 -0.726 . . . . 26.59 113.654 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.4 ' CD1' ' HB2' ' A' ' 76' ' ' PRO . 74.4 m95 -86.96 128.83 35.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 117.505 0.653 . . . . 26.61 110.618 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.64 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 18.7 mm-40 -109.3 139.64 43.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.844 0.354 . . . . 26.95 110.247 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.463 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 12.0 tmm? -114.32 130.61 56.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.374 -0.973 . . . . 25.77 108.374 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 81' ' ' MET . 23.6 mttp -148.97 156.49 42.35 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 110.342 -0.244 . . . . 28.23 110.342 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.45 157.76 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.639 0.257 . . . . 29.77 110.521 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.6 p -90.97 168.63 11.52 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.843 -1.169 . . . . 31.75 107.843 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 p -76.33 13.97 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.399 0.518 . . . . 34.32 112.399 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -120.78 -2.91 9.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.185 0.516 . . . . 35.43 109.629 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.55 7.29 59.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.631 -0.795 . . . . 31.3 113.199 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.6 t -87.44 145.88 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.548 -0.538 . . . . 31.86 109.548 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -104.36 136.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.48 0.181 . . . . 28.74 111.196 -175.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -143.78 158.91 43.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.236 -0.653 . . . . 30.27 109.236 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -114.57 153.71 29.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.314 0.578 . . . . 28.69 111.524 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.64 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 58.7 t -126.57 121.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.504 -0.771 . . . . 29.13 110.612 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 104.96 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.526 -0.916 . . . . 29.7 108.526 177.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -71.17 1.21 6.25 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.999 -0.438 . . . . 29.9 112.054 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -90.3 -50.06 6.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.687 -0.233 . . . . 31.42 110.889 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.3 p -100.82 -8.01 23.05 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.126 -0.23 . . . . 33.14 110.962 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 67.94 31.79 5.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.802 0.81 . . . . 35.29 110.376 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 p -99.31 156.43 17.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.463 -1.244 . . . . 32.59 110.941 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 p -107.28 104.63 14.28 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.774 -0.454 . . . . 32.77 109.774 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.2 t -109.75 157.75 18.83 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.499 0.666 . . . . 30.32 111.185 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.639 -0.71 . . . . 31.76 110.028 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p80 . . . . . 0 C--O 1.231 0.117 0 N-CA-C 109.82 -0.437 . . . . 2.5 109.82 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.2 mtp -108.81 135.84 49.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.749 -0.834 . . . . 2.06 108.749 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -92.16 116.1 28.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.972 -0.381 . . . . 1.9 109.972 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -103.71 159.42 15.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.569 -0.53 . . . . 0.83 109.569 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.11 135.02 35.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.186 -0.461 . . . . 2.57 110.127 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.1 tp -120.02 142.14 49.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 0.33 110.732 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.0 mt -120.5 120.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.704 -0.851 . . . . 0.62 108.704 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD21 ' HE1' ' A' ' 36' ' ' TYR . 1.2 mm? -94.02 100.78 12.84 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.417 -0.513 . . . . 0.25 109.778 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.12 87.14 4.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.483 -0.932 . . . . 1.96 108.483 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.688 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -149.03 129.78 3.17 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.231 -1.148 . . . . 0.91 110.231 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -50.76 -32.93 21.25 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.362 0.505 . . . . 3.26 112.362 -175.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -83.95 -19.63 34.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.142 0.423 . . . . 1.93 112.142 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -156.99 104.68 2.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.419 -0.586 . . . . 1.8 109.419 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.688 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 9.7 mtmt -119.39 124.65 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.893 -0.594 . . . . 2.49 110.627 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.23 -171.49 44.3 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.734 -0.667 . . . . 0.39 111.793 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -136.05 163.62 29.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.255 -0.276 . . . . 1.69 110.255 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.404 HG21 ' CE1' ' A' ' 36' ' ' TYR . 14.6 t -161.42 164.0 30.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 0.58 110.376 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -134.69 161.34 35.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.381 -0.372 . . . . 0.38 110.455 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -158.18 143.81 16.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.849 -0.426 . . . . 0.38 109.849 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.88 121.68 36.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.384 -0.599 . . . . 2.26 109.384 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.35 159.2 42.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.832 -0.433 . . . . 0.38 109.832 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.1 m -104.73 2.84 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.265 0.469 . . . . 1.09 112.265 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 4.7 m-20 -132.82 144.25 50.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.888 -0.412 . . . . 2.13 109.888 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.95 71.79 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.029 0.443 . . . . 0.59 110.25 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -72.69 -37.3 67.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.629 -0.714 . . . . 0.48 111.387 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 16.6 m -66.24 -33.89 76.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.517 -0.311 . . . . 0.46 111.452 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.23 75.21 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.341 0.591 . . . . 0.28 109.639 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 18.4 tt0 -62.61 -57.1 12.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.648 -1.16 . . . . 1.29 109.95 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.4 mmtp -56.92 -43.96 81.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.407 -0.815 . . . . 2.42 112.707 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.24 -44.36 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.3 110.87 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -70.0 -21.5 63.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.456 . . . . 1.11 112.024 -179.16 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.0 mtpp -76.39 -34.65 58.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.45 -0.574 . . . . 1.09 109.45 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -74.11 -30.98 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.85 -0.796 . . . . 2.2 108.85 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.426 ' HE1' HD21 ' A' ' 10' ' ' LEU . 42.2 t80 -64.04 -50.31 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.619 -0.719 . . . . 1.24 109.543 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 0.22 110.042 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -59.71 -40.73 88.96 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.463 -0.789 . . . . 1.39 110.332 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.31 -21.31 65.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 1.78 111.232 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -101.97 2.47 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.69 23.37 76.78 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 115.96 -0.564 . . . . 0.37 113.089 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.89 118.97 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.104 0.478 . . . . 0.46 110.536 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -150.41 97.88 2.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.705 -0.679 . . . . 1.86 109.246 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -130.87 -169.47 12.47 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 121.154 -0.546 . . . . 0.43 111.842 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.49 129.39 35.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.752 0.311 . . . . 2.79 110.197 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.638 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.0 m95 -100.18 115.0 28.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.838 -0.619 . . . . 0.41 111.372 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.443 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 21.6 p -116.46 160.18 20.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 0.63 109.942 178.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -144.6 156.81 44.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.92 0.39 . . . . 1.18 111.089 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.88 129.22 29.9 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.983 -1.117 . . . . 2.07 107.983 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -79.61 -23.6 42.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.019 0.378 . . . . 2.28 112.019 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.23 -37.42 45.39 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.915 -0.314 . . . . 0.91 111.714 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 p -97.87 -14.14 20.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.771 0.656 . . . . 1.19 112.771 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 63.11 13.05 6.49 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.55 0.69 . . . . 2.08 110.37 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.6 m -84.9 132.16 34.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.326 -0.852 . . . . 0.51 112.136 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -96.5 130.81 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.702 -1.221 . . . . 1.19 107.702 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.443 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 19.9 m -118.23 111.55 18.94 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.519 -0.472 . . . . 0.96 111.023 -176.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 p -101.89 110.76 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.921 -0.77 . . . . 0.3 108.921 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -109.8 123.05 48.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 0.52 112.316 -173.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 . . . . . 0 C--N 1.326 -0.456 0 N-CA-C 109.086 -0.709 . . . . 2.56 109.086 176.008 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.287 0.089 . . . . 22.94 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -64.6 154.49 71.84 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.202 1.935 . . . . 23.54 111.211 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -49.65 119.17 4.38 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.851 2.367 . . . . 25.03 112.378 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.22 -28.57 15.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.868 -0.682 . . . . 26.59 113.335 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -82.95 125.91 31.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.836 0.818 . . . . 26.61 110.155 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 42.7 mt-10 -120.63 136.69 54.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.85 0.357 . . . . 26.95 110.845 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 54.9 ttp -104.82 124.58 49.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.737 -0.838 . . . . 25.77 108.737 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.645 ' HD2' HG21 ' A' ' 92' ' ' VAL . 87.8 mttt -142.07 153.5 44.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.399 -0.593 . . . . 28.23 109.399 -176.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 89.9 m-85 -118.43 159.15 23.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.034 0.445 . . . . 29.77 111.605 -175.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.7 p -95.99 170.48 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.439 -0.948 . . . . 31.75 108.439 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -77.02 14.21 0.91 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.174 0.511 . . . . 34.32 111.509 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -121.28 2.83 10.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 35.43 110.13 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.19 19.68 62.17 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.682 -0.77 . . . . 31.3 112.29 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.68 143.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.59 -0.522 . . . . 31.86 109.59 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 9.5 ttt180 -98.62 131.15 45.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.928 -0.578 . . . . 28.74 111.232 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -138.97 151.52 46.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.048 -0.723 . . . . 30.27 109.048 173.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -114.22 146.28 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.019 0.437 . . . . 28.69 110.467 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.645 HG21 ' HD2' ' A' ' 82' ' ' LYS . 47.5 t -115.73 110.57 32.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.804 -0.635 . . . . 29.13 111.022 -176.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.78 87.09 2.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 107.181 -1.415 . . . . 29.7 107.181 173.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -75.22 -2.25 27.11 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.996 -0.44 . . . . 29.9 111.442 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -76.14 -42.17 47.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 31.42 109.815 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.1 p -104.77 -13.46 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.471 . . . . 33.14 110.172 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 66.09 69.58 0.44 Allowed 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 114.849 -1.068 . . . . 35.29 111.036 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -142.4 156.09 45.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 113.704 -1.589 . . . . 32.59 109.509 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.7 p -107.56 142.78 36.95 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.797 -0.361 . . . . 32.77 110.858 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -150.36 158.7 44.44 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.567 0.223 . . . . 30.32 110.654 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 110.143 -0.317 . . . . 31.76 110.143 179.087 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 109.098 -0.705 . . . . 2.5 109.098 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ptp -108.32 138.22 44.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.383 0.538 . . . . 2.06 109.831 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -70.27 135.11 48.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 1.9 111.545 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 9.3 m-85 -124.96 154.63 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.563 -0.744 . . . . 0.83 109.183 176.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.719 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.4 ptpt -137.12 153.6 50.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.719 0.295 . . . . 2.57 111.254 -178.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.8 tp -141.1 138.64 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.637 -0.71 . . . . 0.33 110.483 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.4 mt -119.64 124.29 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 108.724 -0.843 . . . . 0.62 108.724 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.76 105.64 17.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.224 -0.658 . . . . 0.25 109.224 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -101.65 86.29 2.91 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 120.189 -0.605 . . . . 1.96 109.604 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.593 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -142.43 123.51 2.19 Favored Glycine 0 C--O 1.218 -0.854 0 N-CA-C 109.45 -1.46 . . . . 0.91 109.45 176.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -41.18 -42.44 2.06 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.705 1.002 . . . . 3.26 113.705 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -79.36 -31.61 42.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.168 -0.332 . . . . 1.93 111.885 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -133.62 106.79 7.6 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.139 -0.351 . . . . 1.8 110.831 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 10.3 mtmm -126.36 128.75 47.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.091 0.472 . . . . 2.49 110.955 -177.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.89 -169.17 40.98 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.39 110.991 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.93 163.59 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.217 0.509 . . . . 1.69 111.054 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -161.44 164.36 29.85 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.529 -0.545 . . . . 0.58 109.529 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.1 p -128.82 158.41 38.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.574 0.226 . . . . 0.38 111.231 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 t -156.22 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.987 -0.745 . . . . 0.38 108.987 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -102.46 138.03 39.91 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.958 -0.386 . . . . 2.26 109.958 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.52 162.06 41.35 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 110.361 -0.237 . . . . 0.38 110.361 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.435 HG23 ' OD2' ' A' ' 25' ' ' ASP . 30.1 m -101.51 -9.71 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.302 0.482 . . . . 1.09 112.302 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 19.6 m-20 -137.19 153.15 50.5 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.994 -0.373 . . . . 2.13 109.994 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.82 -39.71 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.38 . . . . 0.59 110.791 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.63 -35.36 80.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 0.48 111.009 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 5.2 m -67.48 -33.0 74.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 0.46 111.06 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -33.4 70.31 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.51 0.672 . . . . 0.28 109.267 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -67.36 -55.81 12.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.851 -1.068 . . . . 1.29 109.515 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 27.4 mmmt -51.06 -43.11 60.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.828 -0.624 . . . . 2.42 112.531 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.62 -50.44 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.733 0.302 . . . . 0.3 111.436 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 6.5 m-85 -66.75 -22.98 66.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.938 0.347 . . . . 1.11 111.938 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 37.6 mtpt -70.78 -43.17 69.27 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.093 -0.336 . . . . 1.09 110.093 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.58 -31.11 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.053 -0.721 . . . . 2.2 109.053 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.573 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 19.2 t80 -66.93 -47.89 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.836 -1.074 . . . . 1.24 110.551 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.18 65.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.009 -0.541 . . . . 0.22 110.43 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -61.96 -45.35 94.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.412 -0.813 . . . . 1.39 110.032 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.2 -24.05 67.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.927 -0.579 . . . . 1.78 111.099 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -94.74 -7.35 40.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 1.78 110.798 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.84 27.93 61.81 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.027 -0.606 . . . . 0.37 113.151 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.22 120.48 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.105 -0.702 . . . . 0.46 109.105 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.02 98.51 3.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.458 -0.792 . . . . 1.86 109.008 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.81 -169.32 16.51 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.768 -0.533 . . . . 0.43 111.768 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.24 144.88 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.697 0.284 . . . . 2.79 111.247 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.0 m95 -114.14 116.1 28.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.934 -0.575 . . . . 0.41 111.45 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 p -109.89 158.95 17.66 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.892 -0.595 . . . . 0.63 109.826 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -151.9 140.17 20.39 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.993 -0.283 . . . . 1.18 111.092 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.68 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.2 p30 -112.3 150.44 30.98 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.512 -0.921 . . . . 2.07 108.512 176.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.9 -60.5 2.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.283 0.845 . . . . 2.28 113.283 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.86 88.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.497 0.925 . . . . 0.91 113.497 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -99.67 -8.09 24.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.314 0.857 . . . . 1.19 113.314 -175.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 56.38 40.2 29.81 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.134 0.493 . . . . 2.08 111.266 177.419 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.0 m -90.05 107.76 19.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.018 -0.537 . . . . 0.51 111.372 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 29.9 m-85 -83.9 128.29 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.698 -0.853 . . . . 1.19 108.698 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.1 m -125.79 121.46 33.38 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.794 -0.362 . . . . 0.96 110.711 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -104.12 112.59 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.479 -0.934 . . . . 0.3 108.479 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.5 m -108.25 124.31 50.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.536 -0.756 . . . . 0.52 111.246 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 . . . . . 0 C--O 1.238 0.47 0 CA-C-N 115.912 -0.586 . . . . 2.56 110.037 178.426 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.235 0.332 0 N-CA-C 109.969 -0.382 . . . . 22.94 109.969 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.76 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 3.0 Cg_exo -76.69 173.28 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.057 1.838 . . . . 23.54 110.35 178.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 65.8 Cg_endo -64.42 128.37 21.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.615 2.21 . . . . 25.03 111.637 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -8.91 61.79 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 120.459 -0.877 . . . . 26.59 114.612 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.76 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.0 m95 -98.3 114.63 27.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.707 1.254 . . . . 26.61 111.161 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.636 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 49.3 mt-10 -105.65 142.68 34.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.419 -0.585 . . . . 26.95 109.419 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -134.85 134.74 41.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.281 -0.266 . . . . 25.77 110.281 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -160.76 157.01 26.16 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.842 -0.429 . . . . 28.23 109.842 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -102.29 148.76 25.07 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.66 -0.246 . . . . 29.77 110.675 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 p -86.96 -178.35 6.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.248 -0.433 . . . . 31.75 110.441 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p -65.26 -38.38 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.409 0.522 . . . . 34.32 112.409 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.05 9.45 14.67 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.812 0.339 . . . . 35.43 111.27 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.25 14.87 67.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.006 -0.616 . . . . 31.3 113.763 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.7 t -86.75 134.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.985 0.393 . . . . 31.86 110.236 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.52 HH21 ' HZ ' ' A' ' 91' ' ' PHE . 48.5 ttt180 -93.35 127.42 38.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.969 -0.559 . . . . 28.74 110.448 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -132.73 155.27 49.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.396 -0.522 . . . . 30.27 110.245 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.52 ' HZ ' HH21 ' A' ' 89' ' ' ARG . 19.5 m-85 -114.43 146.63 40.38 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.203 0.525 . . . . 28.69 110.971 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.636 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.4 t -120.22 103.83 14.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.347 -0.842 . . . . 29.13 110.042 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.7 92.47 2.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.625 -1.25 . . . . 29.7 107.625 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -71.84 -13.01 61.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.958 0.409 . . . . 29.9 110.599 -175.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -74.4 -33.92 63.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 31.42 110.329 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.2 p -112.38 -10.02 13.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.591 0.234 . . . . 33.14 111.293 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 62.31 72.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.084 0.945 . . . . 35.29 110.654 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 p -149.9 156.56 41.98 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.173 -1.376 . . . . 32.59 110.043 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -112.56 126.62 55.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.588 -0.523 . . . . 32.77 109.588 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.7 t -132.09 156.18 46.79 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.109 0.481 . . . . 30.32 111.053 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.782 -0.644 . . . . 31.76 110.882 179.405 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.0 m170 . . . . . 0 C--O 1.233 0.188 0 N-CA-C 110.357 -0.238 . . . . 2.5 110.357 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.8 mtp -121.19 137.37 54.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.183 -1.043 . . . . 2.06 108.183 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -83.78 116.14 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 1.9 111.121 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.453 ' CE1' ' HE3' ' A' ' 53' ' ' LYS . 59.3 m-85 -107.91 156.67 18.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.829 -0.623 . . . . 0.83 109.366 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 8.8 ptpp? -134.01 155.19 50.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.303 -0.408 . . . . 2.57 111.59 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.6 tp -136.52 145.03 44.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.33 110.084 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.468 HG12 ' HG2' ' A' ' 18' ' ' GLU . 82.8 mt -124.09 123.35 66.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.082 -0.71 . . . . 0.62 109.082 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.4 mm? -92.15 104.57 16.94 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.304 -0.628 . . . . 0.25 109.304 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 6.7 m120 -95.18 85.22 4.24 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.784 -0.821 . . . . 1.96 108.784 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.769 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -144.42 144.23 13.09 Favored Glycine 0 C--O 1.222 -0.618 0 CA-C-N 115.786 -0.643 . . . . 0.91 112.406 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -49.38 -45.65 46.24 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.41 0.684 . . . . 3.26 112.564 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -104.92 8.7 34.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.379 . . . . 1.93 111.056 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.05 95.58 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.983 -0.747 . . . . 1.8 108.983 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.769 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 88.7 mttt -133.52 111.15 10.46 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.687 -0.688 . . . . 2.49 109.993 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.36 -172.4 44.84 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.496 -1.042 . . . . 0.39 110.496 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HG2' HG12 ' A' ' 9' ' ' ILE . 27.4 mt-10 -135.27 167.08 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.25 0.525 . . . . 1.69 110.658 -178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.454 HG21 ' CE2' ' A' ' 36' ' ' TYR . 15.3 t -159.41 161.41 35.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.648 . . . . 0.58 109.249 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -138.1 159.18 42.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.988 0.423 . . . . 0.38 111.672 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -159.32 156.56 28.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.734 -0.666 . . . . 0.38 109.247 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.73 124.5 48.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.064 0.459 . . . . 2.26 109.852 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.82 157.55 46.49 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.957 -0.386 . . . . 0.38 109.957 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 -25.76 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 111.595 0.22 . . . . 1.09 111.595 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -135.95 158.17 45.05 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.871 -0.418 . . . . 2.13 109.871 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.02 65.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.562 -0.29 . . . . 0.59 111.047 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.97 74.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.078 0.466 . . . . 0.48 110.384 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -73.41 -28.88 62.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.462 -0.79 . . . . 0.46 110.454 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.03 -37.76 64.23 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.163 -0.472 . . . . 0.28 110.193 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.29 -57.98 8.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.72 -0.673 . . . . 1.29 109.464 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 31' ' ' LYS . 29.8 mmtp -48.71 -45.22 38.98 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.977 -1.011 . . . . 2.42 113.362 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.21 -45.5 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 121.187 -0.205 . . . . 0.3 111.193 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.626 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.3 m-85 -71.0 -16.88 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.891 -0.323 . . . . 1.11 111.475 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -67.83 -44.53 77.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.502 -0.555 . . . . 1.09 109.502 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' OE1' ' HA ' ' A' ' 35' ' ' GLN . 6.3 tp60 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 2.2 109.231 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.626 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 33.8 t80 -68.26 -48.18 65.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.025 -0.989 . . . . 1.24 110.419 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.7 -32.18 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.22 110.039 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.47 -41.62 98.91 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.689 -0.687 . . . . 1.39 109.598 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.23 -20.1 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.351 -0.84 . . . . 1.78 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -93.63 -12.53 29.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.528 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.87 29.62 41.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.162 -0.542 . . . . 0.37 113.135 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.15 116.73 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 117.611 0.706 . . . . 0.46 111.064 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -114.36 132.53 56.17 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.272 -1.01 . . . . 1.86 108.272 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.02 -175.23 47.15 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.801 -1.19 . . . . 0.43 112.772 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -72.65 150.96 42.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.985 0.421 . . . . 2.79 110.499 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -111.71 103.99 12.31 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.785 -0.643 . . . . 0.41 110.803 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -104.63 155.19 19.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 0.63 109.927 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -148.22 149.75 32.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 1.18 110.864 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -129.62 131.16 46.39 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.354 -0.98 . . . . 2.07 108.354 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.99 -22.1 31.49 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.266 -0.271 . . . . 2.28 111.569 -173.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.44 -36.78 57.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.855 0.36 . . . . 0.91 111.245 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.2 p -99.59 -17.45 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.362 0.504 . . . . 1.19 112.362 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE3' ' CE1' ' A' ' 6' ' ' TYR . 28.0 mmmt 61.35 47.8 6.57 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.664 -0.865 . . . . 2.08 108.664 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.572 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 9.8 m -117.42 124.77 49.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.706 -1.134 . . . . 0.51 112.029 -174.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.553 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.4 m-85 -95.48 130.1 42.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.674 -0.862 . . . . 1.19 108.674 173.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -124.56 124.09 41.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.087 -0.383 . . . . 0.96 110.941 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -107.47 109.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.26 -1.015 . . . . 0.3 108.26 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.44 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 5.4 m -97.99 118.15 33.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.977 -0.556 . . . . 0.52 111.048 -175.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.723 -0.671 . . . . 2.56 109.458 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 110.006 -0.368 . . . . 22.94 110.006 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.28 150.63 83.87 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.383 2.055 . . . . 23.54 111.966 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -49.5 120.43 5.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.717 2.278 . . . . 25.03 111.95 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.13 -29.53 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.297 -0.954 . . . . 26.59 113.134 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -90.07 126.0 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 117.507 0.654 . . . . 26.61 110.325 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.3 150.15 45.74 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 122.103 -0.373 . . . . 26.95 110.054 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -128.14 127.37 42.86 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.312 -0.625 . . . . 25.77 109.312 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -141.12 160.28 40.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.441 -0.577 . . . . 28.23 109.441 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -112.26 149.16 32.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.617 0.246 . . . . 29.77 110.889 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.9 p -83.45 178.86 7.84 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.661 -0.866 . . . . 31.75 108.661 175.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 m -68.64 -11.52 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.66 0.985 . . . . 34.32 113.66 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 7.9 15.0 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.886 0.374 . . . . 35.43 111.2 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.91 63.65 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.14 -1.029 . . . . 31.3 112.982 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.11 132.94 30.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.607 -0.886 . . . . 31.86 108.607 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.69 145.07 30.87 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.808 0.337 . . . . 28.74 111.567 -175.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -138.56 155.16 48.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.245 -0.65 . . . . 30.27 109.245 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -107.86 155.5 20.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 120.419 -0.512 . . . . 28.69 110.089 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.5 102.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.942 -0.572 . . . . 29.13 110.266 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.35 86.31 1.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.186 -1.042 . . . . 29.7 108.186 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -70.71 -14.91 62.63 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.205 -0.309 . . . . 29.9 111.63 -174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -82.65 -17.79 43.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.789 0.292 . . . . 31.42 111.789 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.6 p -120.85 -1.61 9.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.72 0.295 . . . . 33.14 110.684 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 56.74 67.01 1.05 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.974 0.892 . . . . 35.29 111.182 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 t -159.74 170.58 21.22 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.326 -1.306 . . . . 32.59 109.968 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 p -124.51 101.52 7.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.199 -0.455 . . . . 32.77 110.761 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 t -89.96 159.59 16.83 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.796 -0.446 . . . . 30.32 109.796 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.44 -0.961 0 C-N-CA 119.491 -0.884 . . . . 31.76 110.823 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 39.3 m170 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.849 0.357 . . . . 2.5 110.983 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.5 mtp -111.6 138.84 47.61 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.343 -0.984 . . . . 2.06 108.343 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -80.35 118.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.858 0.361 . . . . 1.9 111.271 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 54.6 m-85 -120.03 139.18 52.92 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.139 -0.689 . . . . 0.83 109.139 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HB3' HG22 ' A' ' 20' ' ' THR . 14.8 ptpt -122.69 158.43 30.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.32 0.581 . . . . 2.57 111.43 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -139.49 137.55 35.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.961 -1.018 . . . . 0.33 110.159 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 18' ' ' GLU . 34.5 mt -116.37 122.38 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.155 -0.683 . . . . 0.62 109.155 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -92.88 107.91 19.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 109.142 -0.688 . . . . 0.25 109.142 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.36 85.88 2.56 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.886 -1.154 . . . . 1.96 107.886 177.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.647 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.33 139.17 7.13 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.488 -0.778 . . . . 0.91 111.544 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 11.3 mmmm -47.73 -31.63 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.733 0.813 . . . . 3.26 112.763 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 p -80.19 -33.25 38.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 1.93 111.783 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -150.97 112.7 4.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.459 -0.337 . . . . 1.8 111.037 -176.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 1.5 mtmt -122.18 111.9 17.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 2.49 109.96 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.64 -171.72 43.98 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.305 -1.118 . . . . 0.39 110.305 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -152.66 157.39 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.49 0.645 . . . . 1.69 111.693 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -155.22 179.63 8.97 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.138 -0.483 . . . . 0.58 110.568 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 7' ' ' LYS . 52.8 p -133.69 157.7 45.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 111.999 0.37 . . . . 0.38 111.999 -177.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -146.14 156.71 43.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.788 -0.819 . . . . 0.38 108.788 175.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 49.0 mt-10 -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.651 -0.249 . . . . 2.26 110.497 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.66 158.48 43.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.696 -0.483 . . . . 0.38 109.696 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -103.3 6.83 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 117.787 0.267 . . . . 1.09 111.557 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -153.12 156.9 39.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.717 0.294 . . . . 2.13 110.558 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.77 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.905 -0.589 . . . . 0.59 111.139 -177.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.67 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.04 0.448 . . . . 0.48 110.256 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -64.12 -29.85 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.524 -0.762 . . . . 0.46 110.395 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.22 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.195 0.521 . . . . 0.28 109.965 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 22.0 tt0 -63.22 -56.9 12.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.917 -1.038 . . . . 1.29 109.894 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -48.57 -44.54 36.75 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.131 -0.94 . . . . 2.42 113.487 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -66.68 -47.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.706 0.289 . . . . 0.3 111.413 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.6 m-85 -66.65 -20.93 66.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.579 -0.282 . . . . 1.11 111.289 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 11.1 mtpt -68.76 -41.17 79.23 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.658 -0.497 . . . . 1.09 109.658 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -70.39 -33.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.873 -0.788 . . . . 2.2 108.873 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.472 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 38.1 t80 -65.75 -50.28 65.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.784 -1.098 . . . . 1.24 110.946 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.52 -33.64 71.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.094 0.473 . . . . 0.22 110.285 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -56.53 -57.0 14.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.081 -0.963 . . . . 1.39 111.517 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -17.86 64.07 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.183 0.438 . . . . 1.78 112.183 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -86.54 -13.6 45.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.994 0.426 . . . . 1.78 110.278 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.23 28.81 26.89 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.543 -0.753 . . . . 0.37 112.584 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.33 114.59 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 120.979 0.418 . . . . 0.46 110.388 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -144.14 97.01 2.98 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.74 0.781 . . . . 1.86 109.448 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -132.74 -166.93 11.62 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.463 -1.055 . . . . 0.43 110.463 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.627 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 13.4 pt-20 -53.45 133.43 40.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.789 0.328 . . . . 2.79 110.169 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -108.9 118.49 36.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.486 -0.325 . . . . 0.41 110.626 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.473 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 25.6 p -126.36 149.03 49.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.157 -0.474 . . . . 0.63 110.703 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -141.23 137.56 32.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.18 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -121.85 135.66 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.906 -1.146 . . . . 2.07 107.906 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -87.9 -10.26 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 2.28 110.984 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.14 -36.57 64.16 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.64 -0.424 . . . . 0.91 110.837 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -109.69 -15.12 14.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.677 0.621 . . . . 1.19 112.677 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 6' ' ' TYR . 14.1 mptt 64.9 34.58 9.02 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.282 0.563 . . . . 2.08 110.23 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.404 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.7 m -101.9 119.02 38.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 0.51 112.07 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 37.2 m-85 -89.72 127.73 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.202 -1.036 . . . . 1.19 108.202 171.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.473 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 12.7 m -120.09 118.26 30.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.12 -0.491 . . . . 0.96 110.844 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -113.86 110.83 33.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.458 0.647 . . . . 0.3 109.324 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.627 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 25.0 m -109.83 122.73 48.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.762 -0.653 . . . . 0.52 111.812 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 N--CA 1.471 0.584 0 CA-C-N 116.075 -0.512 . . . . 2.56 110.401 178.457 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.233 0.194 0 N-CA-C 109.696 -0.483 . . . . 22.94 109.696 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 17.1 Cg_exo -69.6 147.89 64.92 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.938 1.759 . . . . 23.54 111.02 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -47.09 125.23 9.92 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.797 2.331 . . . . 25.03 112.052 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.61 -26.42 24.02 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.662 -0.78 . . . . 26.59 112.999 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.501 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.5 m95 -91.7 142.67 27.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.109 0.455 . . . . 26.61 110.552 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.617 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 9.6 tp10 -128.75 156.72 43.08 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.91 -0.774 . . . . 26.95 108.91 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.496 ' SD ' ' HD2' ' A' ' 89' ' ' ARG . 14.9 tmm? -138.33 120.6 15.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.188 -0.301 . . . . 25.77 110.188 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HE2' HG21 ' A' ' 92' ' ' VAL . 40.4 mtmt -141.52 163.29 33.33 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 109.85 -0.426 . . . . 28.23 109.85 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -107.58 158.57 17.13 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.648 0.261 . . . . 29.77 111.278 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.5 p -86.44 -161.54 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.041 -0.527 . . . . 31.75 109.674 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 p -85.48 -4.66 59.23 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.423 0.527 . . . . 34.32 112.423 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -120.81 14.0 11.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.903 0.382 . . . . 35.43 111.466 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.92 15.56 64.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 31.3 113.656 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.25 126.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.191 0.496 . . . . 31.86 109.937 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.496 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 1.3 ttt180 -89.18 127.38 35.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.77 -0.65 . . . . 28.74 111.847 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -122.34 153.26 39.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.891 -0.595 . . . . 30.27 109.726 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -98.1 144.47 27.56 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.129 -0.693 . . . . 28.69 109.129 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 48.2 t -127.66 112.64 28.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 29.13 111.258 -172.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.18 78.44 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.336 -0.616 . . . . 29.7 109.336 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -52.07 -20.25 2.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.092 0.557 . . . . 29.9 111.552 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -79.45 -31.0 42.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.105 -0.498 . . . . 31.42 112.005 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.6 p -117.05 -5.62 11.41 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 33.14 111.229 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 61.01 76.93 0.35 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.549 -0.751 . . . . 35.29 111.072 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.91 158.83 39.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.411 -1.268 . . . . 32.59 110.221 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.6 p -116.19 136.82 52.67 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.68 -0.489 . . . . 32.77 109.68 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -150.43 148.77 29.16 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.456 -0.498 . . . . 30.32 111.086 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.05 -0.523 . . . . 31.76 110.04 178.182 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.2 m80 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 110.287 -0.264 . . . . 2.5 110.287 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.6 tpt -138.61 171.52 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.6 -0.889 . . . . 2.06 108.6 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -105.2 120.04 40.54 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.147 -0.478 . . . . 1.9 110.909 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -114.87 138.29 50.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.452 -0.944 . . . . 0.83 108.452 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -123.02 163.38 20.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.224 0.535 . . . . 2.57 111.317 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 55' ' ' TYR . 14.8 tp -140.53 144.05 35.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.227 -0.897 . . . . 0.33 109.481 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.785 HG12 ' HG2' ' A' ' 18' ' ' GLU . 96.7 mt -119.01 123.09 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.043 -0.725 . . . . 0.62 109.043 177.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.85 95.02 9.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.27 -0.641 . . . . 0.25 109.27 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.418 ' HB2' HG23 ' A' ' 58' ' ' THR . 80.6 m-20 -87.85 81.75 7.48 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 107.689 -1.226 . . . . 1.96 107.689 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.31 129.0 4.03 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.233 -1.147 . . . . 0.91 110.233 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -55.26 -20.02 9.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.525 0.565 . . . . 3.26 112.525 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 p -79.88 -48.36 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.064 0.459 . . . . 1.93 110.73 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tp -140.29 113.34 8.3 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.95 -0.568 . . . . 1.8 110.312 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.3 mppt? -111.66 125.58 54.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.678 -0.49 . . . . 2.49 109.678 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.47 -169.66 41.38 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.568 -0.825 . . . . 0.39 112.097 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.785 ' HG2' HG12 ' A' ' 9' ' ' ILE . 43.0 mt-10 -137.64 167.63 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 1.69 110.564 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.504 HG21 ' CE1' ' A' ' 36' ' ' TYR . 14.5 t -159.78 166.05 31.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 0.58 110.072 177.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -136.94 159.98 40.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.691 0.281 . . . . 0.38 111.282 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -159.8 155.86 26.53 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.324 -0.398 . . . . 0.38 110.224 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -91.68 128.85 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.021 -0.733 . . . . 2.26 109.021 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.16 154.15 37.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.583 -0.447 . . . . 0.38 110.382 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.422 HG23 ' OD2' ' A' ' 25' ' ' ASP . 27.9 m -106.05 2.78 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.743 0.306 . . . . 1.09 111.585 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 11.8 m-20 -145.98 156.53 43.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.158 -0.682 . . . . 2.13 109.158 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.35 -40.18 27.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.446 -0.575 . . . . 0.59 109.446 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.14 90.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.807 -0.633 . . . . 0.48 111.114 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 6.0 m -67.88 -29.2 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.46 110.666 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.9 62.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.794 -0.447 . . . . 0.28 109.794 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.637 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 13.2 tt0 -61.1 -57.99 10.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.628 -0.714 . . . . 1.29 109.886 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.3 -43.71 61.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.823 0.675 . . . . 2.42 112.823 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 28' ' ' THR . 63.8 t -71.03 -49.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.724 0.297 . . . . 0.3 111.121 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.495 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.7 m-30 -66.78 -20.0 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 1.11 111.932 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 34.0 mtpt -73.16 -41.76 63.55 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.83 -0.348 . . . . 1.09 110.101 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -65.69 -32.53 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.91 -0.774 . . . . 2.2 108.91 174.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.504 ' CE1' HG21 ' A' ' 19' ' ' THR . 18.0 t80 -65.1 -50.19 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.764 -1.107 . . . . 1.24 110.428 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.93 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.655 -0.702 . . . . 0.22 110.271 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.56 -42.65 92.91 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.346 -0.843 . . . . 1.39 111.252 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -25.79 66.38 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.114 0.483 . . . . 1.78 111.177 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -102.72 1.59 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 1.78 111.197 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.51 29.09 64.32 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.054 -0.593 . . . . 0.37 113.296 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.3 116.11 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.868 0.366 . . . . 0.46 110.597 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -150.71 129.54 12.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.747 -0.661 . . . . 1.86 109.427 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.413 ' O ' ' HD1' ' A' ' 46' ' ' TRP . . . -170.28 -168.4 32.06 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.843 -0.903 . . . . 0.43 110.843 -174.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.9 128.79 28.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.005 0.431 . . . . 2.79 110.46 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.64 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.8 m95 -106.75 113.53 27.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.325 -0.852 . . . . 0.41 110.437 -177.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 p -124.71 158.46 33.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 0.63 110.791 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -139.17 152.87 47.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.235 . . . . 1.18 110.724 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.604 ' HB3' HG22 ' A' ' 52' ' ' THR . 2.8 t70 -133.3 114.97 14.36 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.974 -0.751 . . . . 2.07 108.974 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.09 -36.73 80.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.039 0.447 . . . . 2.28 111.415 -175.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.72 63.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.672 -0.695 . . . . 0.91 112.484 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.604 HG22 ' HB3' ' A' ' 49' ' ' ASP . 12.8 t -130.13 3.9 4.81 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.826 1.047 . . . . 1.19 113.826 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 44.53 35.09 1.25 Allowed 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.253 0.549 . . . . 2.08 111.39 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -112.38 117.36 32.23 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.912 -0.585 . . . . 0.51 110.958 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.472 ' O ' HD12 ' A' ' 8' ' ' LEU . 17.2 m-85 -83.65 137.65 33.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 1.19 109.327 173.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.43 121.84 39.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.231 -0.44 . . . . 0.96 111.85 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -115.0 118.58 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.87 -1.53 . . . . 0.3 106.87 175.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 m -124.37 120.07 31.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.292 0.567 . . . . 0.52 112.18 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 114.743 -1.117 . . . . 2.56 109.879 175.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 81' ' ' MET . 3.1 mm? . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 109.698 -0.482 . . . . 22.94 109.698 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.532 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 26.1 Cg_exo -64.17 160.96 35.86 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.186 1.924 . . . . 23.54 110.444 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -60.24 124.59 15.52 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.658 1.572 . . . . 25.03 110.817 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.93 -25.92 26.46 Favored Glycine 0 C--N 1.314 -0.686 0 C-N-CA 120.304 -0.95 . . . . 26.59 113.697 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.532 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -92.21 141.88 28.09 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 117.883 0.842 . . . . 26.61 111.739 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -129.07 148.89 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.568 -0.53 . . . . 26.95 109.568 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.516 ' HB2' HD11 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -123.28 131.23 53.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.522 -0.548 . . . . 25.77 109.522 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -150.45 156.39 41.37 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.735 -0.469 . . . . 28.23 109.735 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -111.86 151.83 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 110.391 -0.225 . . . . 29.77 110.391 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.7 p -88.06 166.3 14.55 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.509 -1.293 . . . . 31.75 107.509 173.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 p -75.71 14.97 0.55 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.253 0.478 . . . . 34.32 111.759 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -121.38 4.38 10.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 35.43 109.686 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.04 15.42 72.42 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.586 -0.734 . . . . 31.3 112.913 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -88.76 138.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 31.86 110.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -96.02 114.99 26.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.858 -0.61 . . . . 28.74 110.96 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -127.03 157.45 39.57 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.646 -0.502 . . . . 30.27 109.646 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -123.32 159.9 27.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 28.69 110.66 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 49.0 t -129.31 125.87 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.396 . . . . 29.13 111.417 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.27 103.55 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.452 -1.314 . . . . 29.7 107.452 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -72.21 -14.14 61.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.513 0.597 . . . . 29.9 110.942 -175.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -76.98 -47.15 21.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.449 -0.341 . . . . 31.42 110.412 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.8 p -92.29 -16.87 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.591 0.234 . . . . 33.14 110.423 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 67.26 40.02 2.88 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.312 1.053 . . . . 35.29 109.862 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.0 p -113.99 156.75 23.49 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.467 -1.697 . . . . 32.59 110.438 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.8 p -106.33 126.8 52.69 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.801 -0.814 . . . . 32.77 108.801 176.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 t -139.57 144.95 38.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.229 -0.588 . . . . 30.32 111.355 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.467 -0.938 . . . . 31.76 108.467 174.464 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.644 -0.873 . . . . 2.5 108.644 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mmm -110.01 138.18 46.75 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.754 -0.378 . . . . 2.06 110.194 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -80.47 116.37 20.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 1.9 110.634 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -102.63 146.87 27.54 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.717 -0.846 . . . . 0.83 108.717 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HB3' HG23 ' A' ' 54' ' ' THR . 56.6 tttm -117.11 140.84 49.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 2.57 111.084 -171.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 21.8 tp -124.48 144.57 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.736 -0.385 . . . . 0.33 110.285 174.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.4 mt -132.23 115.31 25.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.516 -0.766 . . . . 0.62 109.031 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD21 ' HE1' ' A' ' 36' ' ' TYR . 1.6 mm? -91.83 109.84 21.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.105 -0.702 . . . . 0.25 109.105 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -106.86 85.57 2.17 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.525 -0.917 . . . . 1.96 108.525 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.621 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -146.35 144.41 12.74 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.284 -0.871 . . . . 0.91 111.129 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 84.4 mttt -54.91 -25.37 28.74 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.857 0.863 . . . . 3.26 113.223 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 m -97.39 -40.52 8.67 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.29 -0.564 . . . . 1.93 110.549 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 15' ' ' LEU . 2.7 mm? -122.3 100.48 6.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.734 0.302 . . . . 1.8 111.456 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -113.68 116.88 30.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.521 -0.918 . . . . 2.49 108.521 173.803 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.55 -167.71 38.89 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.499 -0.857 . . . . 0.39 111.801 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -139.88 175.28 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.073 0.464 . . . . 1.69 110.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -170.26 157.6 6.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.254 -0.884 . . . . 0.58 109.561 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -130.49 160.67 33.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.357 -0.383 . . . . 0.38 110.968 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -151.94 149.25 28.72 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.807 -0.442 . . . . 0.38 109.807 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.77 109.34 21.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.336 -0.616 . . . . 2.26 109.336 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.18 162.77 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.874 -0.417 . . . . 0.38 109.874 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -95.22 -46.82 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 O-C-N 122.226 -0.296 . . . . 1.09 111.572 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -103.29 156.94 17.36 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 122.076 -0.39 . . . . 2.13 110.54 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -72.47 -42.43 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 0.59 110.576 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.53 76.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.022 -0.535 . . . . 0.48 110.751 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -70.62 -31.42 68.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 0.46 110.452 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.93 -33.09 63.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.729 -0.669 . . . . 0.28 110.235 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -63.25 -53.7 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.326 -0.62 . . . . 1.29 109.326 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -46.63 -43.92 17.9 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.627 -0.715 . . . . 2.42 112.759 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.38 -47.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.728 0.299 . . . . 0.3 111.067 -175.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 12.6 m-85 -71.82 -16.11 62.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 1.11 111.782 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -70.26 -40.11 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.146 -0.687 . . . . 1.09 109.146 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.534 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 1.6 tp60 -69.12 -41.86 76.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.353 -0.981 . . . . 2.2 108.353 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.519 ' HE1' HD21 ' A' ' 10' ' ' LEU . 71.2 t80 -58.47 -54.35 48.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.863 -1.517 . . . . 1.24 111.238 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.33 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.207 0.527 . . . . 0.22 110.254 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.04 -31.5 67.97 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.791 -0.64 . . . . 1.39 109.7 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.66 -38.62 91.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.292 -0.867 . . . . 1.78 110.972 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.07 -16.39 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 1.78 111.132 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.96 33.68 17.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.635 -0.793 . . . . 0.37 113.462 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -97.08 115.42 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.235 0.54 . . . . 0.46 110.296 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -126.52 133.54 51.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.327 -0.852 . . . . 1.86 109.484 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 178.32 -170.91 43.2 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.833 -0.907 . . . . 0.43 110.833 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -58.84 133.59 56.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.141 0.496 . . . . 2.79 110.591 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -102.92 102.59 12.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.86 -0.609 . . . . 0.41 109.942 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.526 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 6.4 p -97.7 156.7 16.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.212 -0.449 . . . . 0.63 111.148 -178.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 17.2 t80 -151.28 147.97 27.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.774 -0.825 . . . . 1.18 108.774 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.29 150.37 42.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.678 -0.86 . . . . 2.07 108.678 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.55 -14.07 41.24 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 121.14 -0.224 . . . . 2.28 111.383 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.65 -44.81 13.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.461 0.541 . . . . 0.91 112.461 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 p -116.51 -2.27 12.04 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.72 1.007 . . . . 1.19 113.72 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.584 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER 58.85 42.09 20.34 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.869 0.843 . . . . 2.08 110.1 -178.824 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 7' ' ' LYS . 24.7 m -93.34 124.03 37.04 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.722 -1.126 . . . . 0.51 110.429 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 40.2 m-85 -100.48 129.7 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.89 -0.782 . . . . 1.19 108.89 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.526 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 99.3 m -129.07 131.59 47.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 0.96 111.466 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.6 p -115.02 116.73 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.744 -0.836 . . . . 0.3 108.744 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.482 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 9.6 m -110.84 134.11 52.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.856 -0.611 . . . . 0.52 111.405 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 13.1 mt-10 . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 109.71 -0.478 . . . . 2.56 109.71 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 81' ' ' MET . 3.8 mm? . . . . . 0 C--O 1.235 0.328 0 N-CA-C 111.694 0.257 . . . . 22.94 111.694 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 75' ' ' LEU . 38.1 Cg_exo -68.74 158.03 59.43 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.377 2.051 . . . . 23.54 110.92 173.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -48.98 123.38 9.78 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.915 2.41 . . . . 25.03 113.021 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.78 -26.58 23.88 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.596 -0.811 . . . . 26.59 114.06 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -88.0 140.34 29.59 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.658 0.729 . . . . 26.61 111.571 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.64 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 63.2 mt-10 -120.49 139.63 52.61 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.757 -0.461 . . . . 26.95 109.757 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.531 ' HB2' HD11 ' A' ' 75' ' ' LEU . 47.9 ttm -115.32 120.59 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.938 -0.393 . . . . 25.77 109.938 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -145.33 152.75 40.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.495 -0.557 . . . . 28.23 109.495 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -113.5 151.92 30.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.308 -0.256 . . . . 29.77 110.308 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 p -83.61 174.35 10.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.786 -0.82 . . . . 31.75 108.786 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -73.99 4.74 5.0 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.12 0.785 . . . . 34.32 113.12 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.695 ' HG3' HG23 ' A' ' 88' ' ' VAL . 10.0 pt-20 -121.7 5.79 10.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 35.43 110.789 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.86 9.2 58.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.522 -0.847 . . . . 31.3 113.691 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' HG3' ' A' ' 86' ' ' GLU . 86.6 t -81.44 130.09 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 117.374 0.587 . . . . 31.86 109.857 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -91.66 121.0 32.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 28.74 110.441 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -127.74 154.34 45.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.612 -0.514 . . . . 30.27 109.612 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.475 ' HE1' ' HE2' ' A' ' 81' ' ' MET . 92.0 m-85 -116.19 155.13 28.83 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 120.889 0.376 . . . . 28.69 110.833 -178.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.64 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 37.1 t -132.87 127.88 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 29.13 111.243 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.41 109.49 20.39 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.572 -1.269 . . . . 29.7 107.572 174.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -74.32 -25.83 59.79 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.066 -0.396 . . . . 29.9 111.853 -172.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' HG23 ' A' ' 96' ' ' THR . 5.8 p30 -71.84 -46.81 56.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.52 0.2 . . . . 31.42 111.459 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.452 HG23 ' OD1' ' A' ' 95' ' ' ASN . 14.3 p -90.06 -12.71 37.68 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.175 -0.328 . . . . 33.14 110.783 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 57.7 62.94 1.95 Allowed 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 122.198 0.999 . . . . 35.29 110.466 -177.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.0 p -135.95 154.7 51.02 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 113.514 -1.676 . . . . 32.59 110.55 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 p -108.64 137.22 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.72 . . . . 32.77 109.057 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 133.71 20.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.125 -0.63 . . . . 30.32 111.635 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 . . . . . 0 N--CA 1.447 -0.576 0 CA-C-N 115.179 -0.919 . . . . 31.76 109.125 175.312 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 109.27 -0.641 . . . . 2.5 109.27 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -122.74 136.48 54.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.322 -0.251 . . . . 2.06 110.322 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.422 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 4.3 tp-100 -88.57 118.69 28.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.9 110.058 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -114.86 149.74 36.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.727 -0.842 . . . . 0.83 108.727 177.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HG3' ' OG1' ' A' ' 54' ' ' THR . 10.3 pttt -123.65 161.85 24.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 2.57 111.257 178.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 15.5 tp -141.29 141.72 33.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.022 -0.99 . . . . 0.33 109.724 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.1 mt -121.37 112.36 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.648 -0.871 . . . . 0.62 108.648 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -83.71 102.01 11.96 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.379 -0.6 . . . . 0.25 109.379 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -97.4 82.36 3.11 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 108.224 -1.028 . . . . 1.96 108.224 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.69 121.92 2.14 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 109.959 -1.256 . . . . 0.91 109.959 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -58.8 -13.47 6.22 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.288 0.477 . . . . 3.26 112.288 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -80.98 -38.07 28.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.057 0.456 . . . . 1.93 110.308 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.4 tm? -157.01 117.32 3.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.632 -0.877 . . . . 1.8 108.632 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.1 mppt? -111.6 141.37 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.915 0.388 . . . . 2.49 110.066 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.417 ' C ' ' HG3' ' A' ' 18' ' ' GLU . . . 178.89 -177.72 48.55 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.058 -0.591 . . . . 0.39 111.737 -176.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 17' ' ' GLY . 5.1 mt-10 -143.79 165.77 26.76 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.347 -0.612 . . . . 1.69 109.347 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.52 HG21 ' CE2' ' A' ' 36' ' ' TYR . 13.4 t -169.4 168.64 9.42 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.703 -0.399 . . . . 0.58 111.455 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.422 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 17.6 p -134.29 158.62 43.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.86 -0.609 . . . . 0.38 110.354 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -156.75 151.15 25.38 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.92 -0.4 . . . . 0.38 109.92 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -92.12 130.54 37.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.597 -0.519 . . . . 2.26 109.597 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.0 158.7 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 0.38 109.544 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 m -103.91 6.63 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.306 . . . . 1.09 111.626 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -165.36 160.23 17.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.616 -0.513 . . . . 2.13 109.616 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.29 -46.59 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.355 -0.384 . . . . 0.59 111.386 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -25.05 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.48 110.831 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -75.15 -27.75 59.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 0.46 110.694 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.24 -38.59 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.28 110.117 -177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.5 tt0 -55.07 -59.74 4.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.108 -0.951 . . . . 1.29 110.136 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -51.32 -38.65 54.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.374 -0.83 . . . . 2.42 112.257 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.9 t -75.73 -56.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.747 0.308 . . . . 0.3 111.058 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.445 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -60.8 -24.98 66.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.283 -0.417 . . . . 1.11 112.041 -179.534 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.641 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 32.9 mtpt -70.22 -39.65 74.98 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.053 -0.404 . . . . 1.09 110.721 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.05 -31.04 67.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.772 -0.825 . . . . 2.2 108.772 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.52 ' CE2' HG21 ' A' ' 19' ' ' THR . 20.2 t80 -63.6 -52.83 59.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.881 -1.054 . . . . 1.24 109.954 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . -64.63 -34.8 79.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.37 -0.832 . . . . 0.22 110.3 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.61 -40.4 91.71 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.415 -0.812 . . . . 1.39 111.321 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.02 -27.77 69.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 1.78 111.024 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -95.18 -3.73 47.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 1.78 110.695 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.15 24.31 71.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.02 -0.609 . . . . 0.37 112.469 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 91.1 t -104.92 100.39 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-O 121.254 0.55 . . . . 0.46 110.531 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -133.75 134.85 43.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.543 -0.753 . . . . 1.86 109.527 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.68 -168.97 35.44 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.102 -0.799 . . . . 0.43 111.102 -175.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 141.1 55.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 2.79 110.93 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.641 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.2 m95 -113.5 125.36 54.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.305 0.574 . . . . 0.41 111.552 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.505 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.7 p -124.55 156.04 38.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.569 -0.741 . . . . 0.63 109.854 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -139.39 140.26 37.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.899 -0.32 . . . . 1.18 111.072 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.738 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.9 p30 -117.52 146.34 43.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.798 -0.816 . . . . 2.07 108.798 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.77 -28.28 16.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.524 0.678 . . . . 2.28 109.179 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.46 77.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.98 -1.009 . . . . 0.91 112.546 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.638 HG23 ' OG1' ' A' ' 54' ' ' THR . 15.0 t -130.95 17.21 5.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.92 -0.712 . . . . 1.19 112.292 -178.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 43.45 39.83 2.42 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.418 0.628 . . . . 2.08 110.407 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.738 ' HB ' ' OD1' ' A' ' 49' ' ' ASP . 83.8 m -107.09 125.26 50.83 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.429 -0.805 . . . . 0.51 112.351 -174.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 36.5 m-85 -89.72 130.1 36.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 1.19 109.136 176.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.505 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 9.1 m -119.82 117.01 27.04 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.837 -0.345 . . . . 0.96 110.624 -179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.1 p -105.57 127.54 60.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.679 -1.23 . . . . 0.3 107.679 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -121.87 115.21 22.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.966 -0.561 . . . . 0.52 111.62 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 114.901 -1.045 . . . . 2.56 110.925 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.235 0.314 0 N-CA-C 109.817 -0.438 . . . . 22.94 109.817 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.582 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 14.4 Cg_exo -75.07 159.97 40.49 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.126 1.884 . . . . 23.54 110.523 177.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -62.58 129.06 25.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 121.878 1.719 . . . . 25.03 110.974 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.24 -27.55 19.53 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.667 -0.778 . . . . 26.59 113.044 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.582 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 74.4 m95 -90.69 142.05 28.15 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 117.303 0.551 . . . . 26.61 110.987 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.629 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 10.4 tp10 -123.56 146.37 48.17 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.85 -0.426 . . . . 26.95 109.85 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.9 ttt -129.1 128.08 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 25.77 110.387 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -149.98 160.2 43.8 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.173 -0.677 . . . . 28.23 109.173 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -106.43 150.79 25.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.723 0.297 . . . . 29.77 111.303 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.2 p -86.53 -173.7 4.64 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.391 -0.596 . . . . 31.75 109.391 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -85.53 10.95 11.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.944 0.402 . . . . 34.32 111.835 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -120.67 0.18 10.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.177 -0.465 . . . . 35.43 109.776 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.68 18.58 54.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.986 -0.626 . . . . 31.3 112.762 -178.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.1 t -95.77 130.6 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.032 0.444 . . . . 31.86 111.323 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.639 ' HE ' ' HE1' ' A' ' 91' ' ' PHE . 52.7 ttt180 -79.76 116.57 20.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.65 -0.704 . . . . 28.74 110.806 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -121.49 158.7 27.86 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.487 -0.56 . . . . 30.27 109.487 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.639 ' HE1' ' HE ' ' A' ' 89' ' ' ARG . 22.7 m-30 -115.56 155.87 26.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.212 0.529 . . . . 28.69 111.343 -176.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 9.6 t -125.95 104.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.604 -0.725 . . . . 29.13 109.535 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -75.93 122.37 24.06 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.871 -1.159 . . . . 29.7 107.871 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 80' ' ' GLU . 35.1 m80 -81.55 -22.33 37.91 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.509 0.929 . . . . 29.9 113.509 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -79.91 -29.83 39.93 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.247 -0.581 . . . . 31.42 111.229 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.3 p -99.56 -26.96 13.92 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.91 -0.404 . . . . 33.14 109.91 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 67.02 44.09 2.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 122.543 1.163 . . . . 35.29 110.021 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.46 146.47 46.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 112.644 -2.071 . . . . 32.59 109.474 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 p -83.36 112.37 19.85 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.475 -0.565 . . . . 32.77 109.475 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 m -105.16 152.56 22.66 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.973 0.416 . . . . 30.32 110.857 -175.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.44 -0.942 0 CA-C-O 121.74 0.781 . . . . 31.76 111.182 175.278 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 112.62 -0.192 . . . . 4.75 112.62 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -80.89 -19.71 43.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.129 0.49 . . . . 2.45 110.858 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.447 ' HD2' HG13 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -83.44 134.46 34.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 2.5 110.382 178.61 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.408 ' HG3' ' CE2' ' A' ' 6' ' ' TYR . 20.3 ptp -119.33 140.58 50.08 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 110.098 -0.334 . . . . 2.06 110.098 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -76.61 144.01 39.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.089 0.471 . . . . 1.9 111.984 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 4' ' ' MET . 38.0 m-85 -135.02 142.3 46.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.254 -0.885 . . . . 0.83 109.076 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HB2' HG23 ' A' ' 54' ' ' THR . 59.7 mttt -106.2 164.4 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.394 0.616 . . . . 2.57 111.465 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' A' ' 33' ' ' PHE . 25.3 tp -146.07 140.02 26.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.763 -1.108 . . . . 0.33 109.868 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.1 mt -127.61 120.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.465 -0.939 . . . . 0.62 108.465 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' A' ' 36' ' ' TYR . 1.1 mm? -95.92 94.73 7.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.518 -0.549 . . . . 0.25 109.518 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.25 87.8 7.53 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.509 -0.922 . . . . 1.96 108.509 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.85 -174.26 14.64 Favored Glycine 0 C--N 1.314 -0.645 0 C-N-CA 120.37 -0.919 . . . . 0.91 111.746 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -95.64 -55.9 2.87 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.795 -0.362 . . . . 3.26 111.768 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 t -99.36 6.92 45.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.369 -0.832 . . . . 1.93 110.009 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.55 101.66 4.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.169 -0.923 . . . . 1.8 109.078 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 22.8 mtmt -135.32 130.6 35.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.355 -0.384 . . . . 2.49 110.0 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.58 178.36 47.12 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.229 -0.748 . . . . 0.39 111.229 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -136.54 158.52 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.236 -0.653 . . . . 1.69 109.236 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 t -156.82 173.4 17.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.563 0.22 . . . . 0.58 110.477 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 p -141.41 148.01 38.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.338 -0.392 . . . . 0.38 110.62 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.406 ' HB ' ' CZ ' ' A' ' 33' ' ' PHE . 3.6 t -141.82 157.93 44.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.979 -0.378 . . . . 0.38 109.979 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.61 130.24 56.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.992 -0.549 . . . . 2.26 110.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.26 166.97 31.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.973 -0.38 . . . . 0.38 109.973 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' ' 3' ' ' HIS . 17.6 m -103.61 -2.47 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.001 0.371 . . . . 1.09 112.001 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -132.13 156.46 46.34 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.49 -0.559 . . . . 2.13 109.49 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.6 23.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.838 -0.431 . . . . 0.59 109.838 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.34 90.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 0.48 110.991 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 m -67.78 -32.07 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.46 110.635 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.25 73.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.776 0.798 . . . . 0.28 109.148 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.26 -62.75 1.36 Allowed 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.386 -1.279 . . . . 1.29 109.439 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -50.59 -42.94 56.43 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.859 -1.064 . . . . 2.42 113.452 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.36 -44.49 90.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.035 0.445 . . . . 0.3 111.181 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.442 ' CG ' HD22 ' A' ' 8' ' ' LEU . 1.5 m-85 -73.18 -21.77 60.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.366 -0.379 . . . . 1.11 111.86 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -68.37 -40.99 81.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.266 -0.642 . . . . 1.09 109.266 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 2.2 109.167 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HE2' HD21 ' A' ' 10' ' ' LEU . 48.7 t80 -69.32 -50.41 46.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.797 . . . . 1.24 110.197 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.21 75.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.737 -0.665 . . . . 0.22 110.33 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -52.09 -51.81 55.34 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.259 -0.882 . . . . 1.39 111.743 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.15 -5.05 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.136 -0.484 . . . . 1.78 111.876 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -108.73 3.3 22.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.102 0.477 . . . . 1.78 110.369 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.39 23.96 76.25 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.655 -0.702 . . . . 0.37 112.948 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.32 118.34 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-O 121.364 0.602 . . . . 0.46 111.701 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -147.49 142.4 26.9 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.294 -1.373 . . . . 1.86 107.294 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -172.03 -170.99 36.58 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.171 -1.014 . . . . 0.43 111.785 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.85 104.15 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.593 . . . . 2.79 109.4 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -75.49 100.66 4.59 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.805 -0.634 . . . . 0.41 111.262 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.426 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 8.6 p -100.04 155.66 17.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.316 -0.856 . . . . 0.63 110.437 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -149.31 144.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.827 -0.349 . . . . 1.18 110.918 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -123.88 131.24 53.55 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 107.984 -1.117 . . . . 2.07 107.984 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -81.25 -15.19 56.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 122.31 -0.244 . . . . 2.28 111.427 -173.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.22 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.839 -0.344 . . . . 0.91 111.906 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.1 p -115.1 -3.68 12.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.832 1.049 . . . . 1.19 113.832 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.54 37.8 19.34 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.489 0.661 . . . . 2.08 110.229 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 7' ' ' LYS . 10.9 m -102.17 111.68 24.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.407 -0.815 . . . . 0.51 111.6 -176.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 23.7 m-85 -85.21 125.04 32.54 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.311 -0.996 . . . . 1.19 108.311 174.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.426 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 26.5 m -117.45 119.54 35.39 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.874 0.369 . . . . 0.96 110.938 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -113.45 106.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.744 0.783 . . . . 0.3 109.252 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.432 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 1.2 m -99.55 125.74 45.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.428 -0.805 . . . . 0.52 110.345 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -78.15 90.29 4.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.944 -0.571 . . . . 2.56 109.971 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 139.43 173.07 12.94 Favored Glycine 0 C--N 1.332 0.315 0 N-CA-C 111.226 -0.75 . . . . 2.32 111.226 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -124.26 -29.76 3.52 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.724 0.297 . . . . 4.41 110.216 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.26 -177.16 35.97 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.719 -0.753 . . . . 4.49 111.972 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -121.97 -23.53 2.46 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.133 -0.556 . . . . 6.24 111.844 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 67.94 -176.15 0.2 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.078 0.551 . . . . 6.29 111.654 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.99 137.66 46.04 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.722 -0.672 . . . . 8.41 112.56 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.43 -17.76 59.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.721 . . . . 10.44 112.801 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -146.83 140.33 25.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.925 0.393 . . . . 12.25 110.044 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.09 46.1 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.078 -0.809 . . . . 11.72 111.078 -178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.6 mmt -81.49 71.48 8.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.527 0.203 . . . . 14.29 111.454 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt 51.6 83.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 115.333 -0.849 . . . . 14.51 111.779 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -128.27 18.64 6.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.59 0.71 . . . . 16.8 110.139 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 73' ' ' PRO . 28.9 mt-10 -110.91 158.67 35.09 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.436 -0.802 . . . . 17.64 110.762 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 72' ' ' GLU . 60.7 Cg_endo -74.67 -176.42 2.78 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.95 2.434 . . . . 20.1 113.095 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 70.01 177.91 0.26 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.608 -1.178 . . . . 20.94 111.39 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -95.88 134.5 23.86 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.285 -0.416 . . . . 22.94 110.843 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.767 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 37.6 Cg_endo -77.0 157.14 34.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.447 2.098 . . . . 23.54 111.258 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -45.97 130.93 13.56 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.03 2.487 . . . . 25.03 113.172 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.67 4.05 90.46 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 115.146 0.818 . . . . 26.59 115.146 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.767 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 59.5 m95 -107.3 142.72 36.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.78 1.29 . . . . 26.61 111.265 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.611 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 50.3 mt-10 -127.43 132.42 50.08 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.599 -0.519 . . . . 26.95 109.599 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 60.6 ttp -112.33 106.72 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.187 -1.042 . . . . 25.77 108.187 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -133.97 156.99 47.19 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.198 -0.667 . . . . 28.23 109.198 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -112.87 152.5 29.19 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.344 -0.243 . . . . 29.77 110.344 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -79.61 174.16 11.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.514 -0.921 . . . . 31.75 108.514 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 p -73.66 9.56 1.39 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.578 0.585 . . . . 34.32 112.578 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -120.81 0.8 10.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 35.43 109.714 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.84 12.81 60.1 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.599 -0.81 . . . . 31.3 113.438 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.5 t -81.69 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.621 -0.511 . . . . 31.86 109.621 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -91.01 123.63 34.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 28.74 111.535 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -135.58 155.61 50.19 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.885 -0.413 . . . . 30.27 109.885 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -116.27 157.64 24.62 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.949 0.404 . . . . 28.69 110.339 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.611 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 43.9 t -125.06 112.7 32.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.256 -0.429 . . . . 29.13 110.91 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.03 89.33 2.99 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.051 -1.092 . . . . 29.7 108.051 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.7 -11.47 60.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.026 0.441 . . . . 29.9 110.746 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -72.49 -37.28 68.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 31.42 110.286 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 p -112.57 -6.84 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.383 0.611 . . . . 33.14 110.536 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 60.4 73.46 0.48 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 114.817 -1.083 . . . . 35.29 111.139 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -155.54 165.83 35.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.82 -1.536 . . . . 32.59 109.264 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 p -103.51 142.47 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.949 -0.389 . . . . 32.77 109.949 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -146.85 139.74 25.22 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 110.175 -0.305 . . . . 30.32 110.175 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -95.51 99.29 11.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.983 -0.377 . . . . 31.76 109.983 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -118.48 93.79 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.867 0.365 . . . . 28.42 111.011 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -120.74 143.41 36.44 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.39 -0.596 . . . . 27.82 109.39 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -64.31 -13.51 38.58 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.507 2.138 . . . . 26.03 112.766 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -101.99 109.09 59.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.549 -0.537 . . . . 27.8 109.549 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.74 131.12 13.14 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.437 1.424 . . . . 29.2 111.131 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.49 -6.96 9.48 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.691 -0.766 . . . . 30.61 113.256 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.1 t80 68.04 31.84 5.3 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.171 -0.677 . . . . 30.1 109.171 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--O 1.246 0.873 0 CA-C-N 114.036 -1.438 . . . . 32.01 112.383 178.739 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 112.095 -0.402 . . . . 4.75 112.095 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 p -146.91 101.32 3.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.912 0.356 . . . . 2.45 110.932 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.09 166.09 11.42 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.801 -0.814 . . . . 2.5 108.801 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.648 ' HG3' ' HE2' ' A' ' 6' ' ' TYR . 18.0 ptp -120.75 132.1 54.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.682 -0.858 . . . . 2.06 108.682 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -92.69 132.85 36.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.169 0.509 . . . . 1.9 111.549 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.648 ' HE2' ' HG3' ' A' ' 4' ' ' MET . 70.6 m-85 -123.54 151.04 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 0.83 109.289 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HB3' HG22 ' A' ' 20' ' ' THR . 14.6 ptmt -123.29 148.49 45.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.128 0.489 . . . . 2.57 110.22 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.7 tp -130.18 131.64 45.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.233 -0.894 . . . . 0.33 110.051 -178.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.61 125.87 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.143 -0.688 . . . . 0.62 109.143 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -95.64 100.58 12.29 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 109.355 -0.609 . . . . 0.25 109.355 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.437 ' CB ' HG23 ' A' ' 58' ' ' THR . 88.9 m-20 -94.54 86.36 4.79 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.418 -0.956 . . . . 1.96 108.418 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.581 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.73 136.65 5.7 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.038 -0.825 . . . . 0.91 111.038 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -58.63 -19.67 41.03 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.247 0.462 . . . . 3.26 112.247 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -94.86 -15.26 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 1.93 111.573 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.24 101.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.8 110.297 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 16.2 mttm -113.83 118.04 33.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.175 -0.466 . . . . 2.49 110.469 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.76 -166.49 37.81 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.886 -0.885 . . . . 0.39 110.886 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -162.66 150.37 13.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.93 0.395 . . . . 1.69 110.285 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -147.93 178.45 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.755 -0.657 . . . . 0.58 110.62 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 7' ' ' LYS . 40.0 p -133.49 156.62 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.585 -0.279 . . . . 0.38 111.539 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -149.8 156.28 41.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.028 -0.533 . . . . 0.38 109.581 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -103.11 135.86 43.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.337 -0.616 . . . . 2.26 109.337 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 4' ' ' MET . . . -146.34 162.57 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.323 -0.621 . . . . 0.38 109.323 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.64 8.44 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.106 -0.371 . . . . 1.09 111.033 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -152.96 159.62 42.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 2.13 110.237 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.03 -42.73 25.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.232 -0.44 . . . . 0.59 111.904 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.06 -32.74 63.43 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.613 0.721 . . . . 0.48 110.292 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.0 m -64.31 -27.13 68.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.985 -1.007 . . . . 0.46 110.513 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.7 67.04 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.117 -0.698 . . . . 0.28 109.117 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 10.1 tt0 -62.41 -59.0 5.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.974 -1.012 . . . . 1.29 109.555 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -49.74 -42.8 47.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.862 -1.063 . . . . 2.42 113.231 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' THR . 84.3 t -70.37 -45.79 73.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.838 0.351 . . . . 0.3 111.184 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.444 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 2.4 m-85 -70.86 -21.34 62.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.741 0.275 . . . . 1.11 111.741 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 29.1 mtpt -69.76 -43.61 71.87 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.97 -0.381 . . . . 1.09 109.97 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -68.78 -27.51 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.862 -0.792 . . . . 2.2 108.862 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 35.2 t80 -69.85 -52.57 23.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.769 -1.105 . . . . 1.24 110.254 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.74 72.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 0.22 110.678 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -67.66 -26.89 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 1.39 109.681 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.88 -30.93 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.782 -0.645 . . . . 1.78 110.738 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -101.28 2.79 40.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.006 0.432 . . . . 1.78 110.433 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.43 60.63 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.37 114.495 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -102.5 112.4 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 117.852 0.826 . . . . 0.46 110.969 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -132.44 109.63 9.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.746 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.64 -168.62 16.27 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.122 -0.561 . . . . 0.43 111.923 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.54 139.68 37.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.303 -0.258 . . . . 2.79 110.303 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.55 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.3 m95 -113.72 99.14 7.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.41 110.771 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 p -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.68 -0.691 . . . . 0.63 109.873 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -153.7 151.24 29.42 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.757 -0.377 . . . . 1.18 111.524 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.99 132.98 38.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 107.677 -1.231 . . . . 2.07 107.677 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.95 -23.1 22.76 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.058 -0.657 . . . . 2.28 111.709 -170.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.81 -25.78 63.01 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.994 -0.282 . . . . 0.91 111.026 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.4 p -116.87 -0.04 12.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.825 0.676 . . . . 1.19 112.825 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 48.94 36.87 9.06 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.109 0.48 . . . . 2.08 111.692 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 m -104.4 115.98 31.32 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.378 0.51 . . . . 0.51 112.378 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 28.1 m-85 -84.92 133.82 34.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.742 -1.207 . . . . 1.19 107.742 171.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.26 118.48 29.66 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.62 -0.432 . . . . 0.96 111.369 -177.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.33 109.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.347 -0.982 . . . . 0.3 108.347 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.437 HG23 ' CB ' ' A' ' 11' ' ' ASN . 1.6 m -111.64 129.57 56.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.429 -0.805 . . . . 0.52 110.929 -175.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.35 95.7 7.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.516 -0.766 . . . . 2.56 109.214 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.69 106.42 2.82 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 119.714 -1.231 . . . . 2.32 111.675 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 p -128.65 9.83 6.01 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.867 0.365 . . . . 4.41 110.36 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.25 -10.46 50.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.741 -0.742 . . . . 4.49 112.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.83 -11.77 83.35 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.273 -0.489 . . . . 6.24 113.078 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.68 158.88 42.95 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.886 -0.413 . . . . 6.29 109.886 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.49 -78.08 0.22 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.532 -0.842 . . . . 8.41 112.353 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 67' ' ' GLN . . . -68.32 -27.31 73.81 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.72 -0.752 . . . . 10.44 112.937 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' ' 66' ' ' GLY . 49.5 tt0 73.55 -73.15 0.1 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.289 0.636 . . . . 12.25 111.414 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.4 -166.62 34.44 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.348 -0.701 . . . . 11.72 111.348 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 48.3 mtm 60.51 -160.65 0.29 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.876 -0.416 . . . . 14.29 109.876 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 tp 89.09 4.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 123.753 0.658 . . . . 14.51 110.471 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -99.33 12.48 36.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.19 -0.914 . . . . 16.8 110.098 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -98.06 152.42 38.03 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.316 -0.856 . . . . 17.64 109.468 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -80.08 156.41 23.17 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.211 1.941 . . . . 20.1 110.869 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.3 176.7 9.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.256 -0.429 . . . . 20.94 110.302 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.54 147.92 82.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.716 -0.476 . . . . 22.94 109.716 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.9 Cg_exo -71.22 160.55 48.62 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 121.833 1.689 . . . . 23.54 110.431 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -60.8 129.69 30.08 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.85 1.7 . . . . 25.03 110.987 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.54 61.28 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 120.468 -0.872 . . . . 26.59 113.94 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.551 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.4 m95 -96.44 126.72 41.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 117.859 0.83 . . . . 26.61 111.306 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 39.8 mt-10 -111.59 149.75 31.03 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.495 -0.557 . . . . 26.95 109.495 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -126.27 117.71 23.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.316 -0.624 . . . . 25.77 109.316 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -143.38 157.49 44.42 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 110.067 -0.345 . . . . 28.23 110.067 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.53 159.69 17.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.872 0.367 . . . . 29.77 111.519 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.5 p -89.84 -168.38 2.12 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.775 -0.824 . . . . 31.75 108.775 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 p -90.46 10.87 23.52 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.878 -0.514 . . . . 34.32 112.056 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -120.23 0.43 10.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.474 0.654 . . . . 35.43 109.589 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.95 2.17 69.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.483 -0.865 . . . . 31.3 111.913 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.46 131.05 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 31.86 109.75 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -97.57 121.4 39.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.012 -0.54 . . . . 28.74 110.601 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.84 153.3 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.713 -0.847 . . . . 30.27 108.713 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -117.23 146.14 43.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.339 -0.544 . . . . 28.69 109.599 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.616 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.9 t -110.97 104.04 16.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.254 -0.43 . . . . 29.13 110.977 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.64 85.58 1.18 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.454 -1.313 . . . . 29.7 107.454 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -72.52 -2.58 20.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.853 0.359 . . . . 29.9 111.349 -174.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -75.01 -27.12 59.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.619 -0.512 . . . . 31.42 109.619 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 p -119.81 -6.64 10.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.102 0.477 . . . . 33.14 109.897 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 65.3 31.67 10.4 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.116 -0.947 . . . . 35.29 110.908 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -106.54 153.2 22.67 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.634 -1.166 . . . . 32.59 110.572 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.1 p -94.88 121.04 36.07 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.487 -0.931 . . . . 32.77 108.487 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.413 HG21 ' NZ ' ' A' ' 102' ' ' LYS . 5.0 t -124.42 157.97 33.87 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.096 0.474 . . . . 30.32 110.796 -175.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -115.16 97.74 6.38 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.968 -0.753 . . . . 31.76 108.968 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' HE3' ' HH2' ' A' ' 79' ' ' TRP . 27.3 mtmm -135.76 105.7 6.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.869 -0.605 . . . . 28.42 110.153 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.445 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 5.9 p-10 -82.84 127.35 70.16 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.085 -0.507 . . . . 27.82 110.551 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.46 ' HD2' ' HE1' ' A' ' 108' ' ' PHE . 7.7 Cg_exo -71.36 -28.23 18.43 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.339 2.026 . . . . 26.03 110.486 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -109.14 121.75 41.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.578 -0.897 . . . . 27.8 108.578 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.65 118.58 5.55 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 121.756 1.637 . . . . 29.2 113.032 -172.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.11 -34.95 2.98 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-N 115.952 -0.567 . . . . 30.61 113.336 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.46 ' HE1' ' HD2' ' A' ' 104' ' ' PRO . 0.8 OUTLIER 57.41 20.04 5.65 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 117.053 0.426 . . . . 30.1 111.881 -178.028 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--O 1.248 0.993 0 O-C-N 123.681 0.613 . . . . 32.01 110.985 179.393 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.718 -0.553 . . . . 4.75 111.718 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -75.7 153.04 37.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.746 0.308 . . . . 2.45 111.094 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -67.91 100.12 0.92 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 2.5 111.197 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.1 ptm -103.63 136.58 43.08 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.084 -0.71 . . . . 2.06 109.084 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.32 140.01 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.014 0.435 . . . . 1.9 111.895 -176.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -122.41 160.6 25.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.546 -0.752 . . . . 0.83 110.366 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.887 ' HD2' HG23 ' A' ' 54' ' ' THR . 5.4 tmtm? -123.56 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.66 -0.7 . . . . 2.57 110.424 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.622 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 17.2 tp -134.2 144.47 48.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.944 0.402 . . . . 0.33 111.352 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.606 HG12 ' HG2' ' A' ' 18' ' ' GLU . 88.6 mt -129.38 127.47 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.296 -0.866 . . . . 0.62 109.118 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.81 102.98 14.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.622 -0.511 . . . . 0.25 109.622 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 8.8 m120 -96.22 86.42 4.23 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.021 -0.733 . . . . 1.96 109.021 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -153.92 135.53 4.82 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.169 -0.772 . . . . 0.91 111.169 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -55.05 -21.44 12.41 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.393 0.516 . . . . 3.26 112.393 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 p -78.68 -52.75 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.77 0.319 . . . . 1.93 110.592 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 15' ' ' LEU . 1.6 mm? -134.48 104.65 6.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 1.8 111.269 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.9 OUTLIER -105.86 121.42 44.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.484 -0.561 . . . . 2.49 109.484 175.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.06 -173.94 46.05 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.336 -0.705 . . . . 0.39 111.336 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.606 ' HG2' HG12 ' A' ' 9' ' ' ILE . 36.1 mt-10 -139.02 164.89 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.827 0.346 . . . . 1.69 111.227 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -163.96 172.84 13.37 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.952 -0.567 . . . . 0.58 110.539 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p -140.71 155.57 46.43 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.667 0.387 . . . . 0.38 110.001 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -152.71 157.5 40.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.266 -0.272 . . . . 0.38 110.266 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.09 141.34 28.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 2.26 109.73 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.58 147.29 35.64 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.884 -0.326 . . . . 0.38 110.373 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -101.2 7.3 9.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.786 0.327 . . . . 1.09 110.944 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -164.25 159.12 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.449 -0.945 . . . . 2.13 108.449 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.9 67.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.652 0.263 . . . . 0.59 111.469 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.02 73.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 0.48 111.021 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 m -69.34 -29.26 67.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.67 . . . . 0.46 111.157 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.52 74.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.28 110.685 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.2 tt0 -65.93 -55.2 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.58 -0.736 . . . . 1.29 109.792 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -51.45 -43.16 61.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.042 0.756 . . . . 2.42 113.042 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 28' ' ' THR . 83.9 t -69.08 -51.55 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 0.3 111.254 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.547 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.4 m-30 -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.402 -0.363 . . . . 1.11 111.979 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.665 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 25.0 mtpp -72.61 -40.12 66.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.125 -0.324 . . . . 1.09 110.125 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -70.57 -32.03 69.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.861 -0.792 . . . . 2.2 108.861 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.547 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 24.2 t80 -65.98 -51.38 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.912 -1.04 . . . . 1.24 110.162 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . -67.27 -30.04 69.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.355 -0.839 . . . . 0.22 110.088 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.48 -39.25 92.84 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.467 -0.788 . . . . 1.39 110.685 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.88 -26.41 67.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.375 -0.375 . . . . 1.78 111.562 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -102.79 6.39 39.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.929 0.395 . . . . 1.78 110.328 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.24 20.34 67.2 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.614 -0.721 . . . . 0.37 113.065 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.523 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 91.4 t -102.64 105.86 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 121.425 0.631 . . . . 0.46 111.146 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -143.55 140.58 30.31 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.29 -1.004 . . . . 1.86 108.29 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -169.91 -169.58 33.29 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.898 -0.881 . . . . 0.43 110.898 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.74 111.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.043 0.449 . . . . 2.79 110.764 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.665 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.5 m95 -82.06 105.83 13.48 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.706 -0.679 . . . . 0.41 111.21 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.95 157.04 17.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 0.63 109.628 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.436 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 79.0 t80 -146.72 147.09 30.6 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.334 -0.229 . . . . 1.18 111.223 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.6 142.27 47.79 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.864 -0.791 . . . . 2.07 108.864 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.61 -36.47 44.14 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 111.67 0.248 . . . . 2.28 111.67 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -26.6 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.582 0.586 . . . . 0.91 112.582 -175.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -109.68 -15.48 14.14 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.865 1.061 . . . . 1.19 113.865 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 13.5 mptt 60.04 24.32 13.52 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-O 121.85 0.833 . . . . 2.08 109.816 -177.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.887 HG23 ' HD2' ' A' ' 7' ' ' LYS . 39.4 m -89.21 114.9 26.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.733 -1.121 . . . . 0.51 112.047 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.542 ' O ' HD12 ' A' ' 8' ' ' LEU . 84.7 m-85 -83.7 120.89 26.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.144 -1.058 . . . . 1.19 108.144 171.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 m -111.31 118.16 35.11 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.839 0.352 . . . . 0.96 110.206 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.7 p -110.13 113.05 43.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.773 -0.825 . . . . 0.3 108.773 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.497 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 5.7 m -110.04 131.14 55.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.442 -0.799 . . . . 0.52 111.398 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.56 153.22 40.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.524 -0.547 . . . . 2.56 109.524 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -150.33 -164.54 11.95 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.487 -0.863 . . . . 2.32 111.616 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.3 m 62.84 -163.56 0.27 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.474 0.31 . . . . 4.41 110.634 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.31 -146.39 17.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.711 -0.757 . . . . 4.49 111.751 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.8 -11.16 62.5 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.97 -0.633 . . . . 6.24 112.6 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 73.87 -56.77 0.64 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.041 0.936 . . . . 6.29 111.914 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.34 88.97 1.15 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.86 -0.686 . . . . 8.41 111.886 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.14 3.02 82.2 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.609 -0.805 . . . . 10.44 112.248 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -142.26 125.87 16.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.608 0.242 . . . . 12.25 110.587 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.97 -68.04 1.18 Allowed Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 110.926 -0.87 . . . . 11.72 110.926 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 25.7 mmt 60.42 12.04 3.27 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.915 0.709 . . . . 14.29 112.915 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.2 mm -131.17 82.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.002 -0.74 . . . . 14.51 109.002 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -112.5 20.85 16.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 16.8 110.758 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.16 148.0 98.62 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.607 -0.724 . . . . 17.64 109.935 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -75.48 177.76 8.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.758 2.306 . . . . 20.1 114.738 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 78.18 101.26 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.093 -1.412 . . . . 20.94 114.011 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.13 147.17 33.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.916 -1.142 . . . . 22.94 107.916 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.769 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 61.1 Cg_endo -74.51 143.97 31.55 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.289 1.326 . . . . 23.54 110.31 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -41.43 129.79 3.52 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 25.03 113.761 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.13 -15.97 59.8 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.647 -0.787 . . . . 26.59 114.504 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.769 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 72.9 m95 -94.04 147.27 23.29 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.084 0.942 . . . . 26.61 111.379 -177.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.635 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 15.5 tp10 -130.63 145.43 51.9 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.085 -0.709 . . . . 26.95 109.085 177.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -125.42 128.73 48.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.704 -0.225 . . . . 25.77 110.427 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -149.46 153.81 37.87 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.432 -0.581 . . . . 28.23 109.432 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.84 158.5 17.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.075 -0.342 . . . . 29.77 110.075 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.5 p -96.93 174.3 6.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.645 -0.872 . . . . 31.75 108.645 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 p -77.4 8.52 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.403 0.519 . . . . 34.32 112.403 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -119.43 5.27 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 35.43 110.579 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.48 83.3 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.659 -0.782 . . . . 31.3 112.262 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.45 146.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.691 -0.485 . . . . 31.86 109.691 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.39 128.18 55.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.47 -0.332 . . . . 28.74 110.642 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -127.76 155.94 43.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.457 -0.571 . . . . 30.27 109.457 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -117.6 153.61 32.96 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.065 0.459 . . . . 28.69 110.647 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.635 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 43.2 t -127.11 112.96 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 29.13 110.907 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.2 94.44 5.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 29.7 109.178 177.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -74.42 -4.54 37.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.216 0.462 . . . . 29.9 111.275 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.34 -30.77 54.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.076 -0.511 . . . . 31.42 109.867 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 p -115.4 -10.33 12.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.122 -0.49 . . . . 33.14 110.535 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 66.01 42.27 3.36 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.045 0.926 . . . . 35.29 110.006 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -122.23 168.54 11.89 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.272 -1.786 . . . . 32.59 109.984 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -113.56 138.01 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.642 . . . . 32.77 109.265 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 t -143.77 149.52 37.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.302 0.572 . . . . 30.32 111.272 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -103.77 99.89 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.763 -0.653 . . . . 31.76 109.435 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -115.12 145.71 42.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.029 -0.532 . . . . 28.42 109.984 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 16.6 p-10 -78.84 131.75 66.34 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-N 116.048 -0.523 . . . . 27.82 110.417 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 6.2 Cg_exo -77.44 -37.83 0.88 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.46 2.107 . . . . 26.03 110.395 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -111.97 109.56 54.81 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.56 -0.745 . . . . 27.8 109.22 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HA ' ' OD1' ' A' ' 103' ' ' ASP . 81.3 Cg_exo -50.2 130.48 28.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.971 1.781 . . . . 29.2 112.165 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 77.59 12.94 84.02 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 120.374 -0.917 . . . . 30.61 114.612 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -108.06 152.18 24.85 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.361 1.081 . . . . 30.1 109.867 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.19 -0.91 . . . . 32.01 109.415 -179.826 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.114 -0.395 . . . . 4.75 112.114 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.624 ' O ' HG12 ' A' ' 24' ' ' VAL . 27.1 m -75.07 81.94 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.089 0.471 . . . . 2.45 110.806 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.7 146.78 46.09 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.726 -0.67 . . . . 2.5 109.943 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.432 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 25.1 mmt -122.33 135.47 54.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.274 -1.01 . . . . 2.06 108.274 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -85.22 99.19 10.94 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.648 -0.421 . . . . 1.9 110.288 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 4' ' ' MET . 96.1 m-85 -91.75 135.74 33.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.05 -0.722 . . . . 0.83 109.05 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HG3' HG23 ' A' ' 54' ' ' THR . 4.5 ptpp? -119.73 148.7 43.08 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.082 -0.508 . . . . 2.57 110.322 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.0 tp -128.19 140.63 51.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 0.33 110.055 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.509 HG12 ' HG2' ' A' ' 18' ' ' GLU . 89.4 mt -120.77 121.92 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 108.634 -0.876 . . . . 0.62 108.634 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -90.07 94.76 9.91 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.443 -0.577 . . . . 0.25 109.443 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.558 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -86.67 84.26 7.43 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.164 -1.05 . . . . 1.96 108.164 179.172 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -135.12 130.25 5.38 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.299 -0.953 . . . . 0.91 111.537 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -50.53 -30.92 14.16 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.655 0.782 . . . . 3.26 112.922 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -81.34 -41.64 21.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.716 -0.393 . . . . 1.93 111.181 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -145.1 126.1 14.53 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 121.244 0.545 . . . . 1.8 109.638 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -121.15 135.53 55.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.613 -0.721 . . . . 2.49 109.067 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.24 -171.25 43.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 0.39 112.372 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.509 ' HG2' HG12 ' A' ' 9' ' ' ILE . 22.8 mt-10 -130.12 171.33 12.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.69 111.272 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.518 HG21 ' CE1' ' A' ' 36' ' ' TYR . 15.0 t -168.28 155.29 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.052 -0.976 . . . . 0.58 108.813 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.1 p -132.8 159.23 40.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.891 0.377 . . . . 0.38 111.421 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -159.91 155.86 26.31 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.096 -0.705 . . . . 0.38 109.096 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.72 130.04 48.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.863 0.363 . . . . 2.26 110.224 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.94 157.26 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.83 -0.433 . . . . 0.38 109.83 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 2' ' ' SER . 33.7 m -94.68 -1.36 10.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 1.09 111.602 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -154.46 157.69 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.505 -0.316 . . . . 2.13 110.439 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -77.61 -42.82 33.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.828 -0.624 . . . . 0.59 111.466 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -67.68 -30.26 69.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.406 0.622 . . . . 0.48 110.117 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 m -73.08 -28.43 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.954 -1.021 . . . . 0.46 110.702 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.17 60.86 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.208 -0.664 . . . . 0.28 109.208 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 9.8 tt0 -50.87 -59.99 3.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.703 -1.135 . . . . 1.29 110.231 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 64.6 mmtt -49.74 -43.9 48.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.248 -0.887 . . . . 2.42 112.51 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.59 -46.62 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.3 111.125 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.442 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.6 m-85 -69.09 -20.17 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.844 0.313 . . . . 1.11 111.844 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.628 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 34.1 mtpt -72.67 -42.63 64.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.967 -0.382 . . . . 1.09 109.967 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -67.09 -30.27 70.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.761 -0.829 . . . . 2.2 108.761 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CE1' HG21 ' A' ' 19' ' ' THR . 47.7 t80 -67.88 -52.52 35.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.455 -0.793 . . . . 1.24 110.358 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.41 84.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.066 0.46 . . . . 0.22 109.777 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.41 -45.2 80.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.122 -0.944 . . . . 1.39 110.67 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -73.73 -19.76 60.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.451 -0.795 . . . . 1.78 110.775 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.32 -11.89 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 1.78 110.918 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.97 60.55 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.825 -0.625 . . . . 0.37 112.955 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.51 129.44 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 120.936 0.398 . . . . 0.46 110.905 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -150.18 99.14 2.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.471 -0.786 . . . . 1.86 109.534 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -151.25 -168.4 15.78 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 121.317 -0.468 . . . . 0.43 112.064 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.9 mm-40 -54.32 150.6 8.47 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.858 0.387 . . . . 2.79 110.955 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.628 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 8.9 m95 -126.22 112.75 16.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.284 -0.416 . . . . 0.41 111.409 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.76 153.81 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.466 -0.334 . . . . 0.63 110.806 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 37.6 t80 -135.09 149.6 50.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.695 0.283 . . . . 1.18 111.344 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -129.66 131.43 46.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.782 -1.192 . . . . 2.07 107.782 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.71 -9.08 55.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.633 0.254 . . . . 2.28 111.638 -171.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.771 -0.372 . . . . 0.91 111.541 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.9 p -121.91 5.37 9.9 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.981 0.734 . . . . 1.19 112.981 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 53.74 49.6 18.87 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.087 0.47 . . . . 2.08 110.543 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.403 HG23 ' HG3' ' A' ' 7' ' ' LYS . 7.0 m -116.87 124.44 49.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.387 -0.37 . . . . 0.51 111.696 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.48 ' OH ' ' HB1' ' A' ' 26' ' ' ALA . 21.6 m-85 -98.23 136.71 38.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.799 -0.815 . . . . 1.19 108.799 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.39 127.12 53.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.612 -0.267 . . . . 0.96 111.286 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 14.6 p -121.17 103.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.662 -0.866 . . . . 0.3 108.662 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.573 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 25.3 m -103.34 129.29 50.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.108 -0.951 . . . . 0.52 111.411 -176.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.08 143.56 57.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 2.56 110.119 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.73 -164.88 25.17 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 120.675 -0.774 . . . . 2.32 112.191 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.2 m -117.83 118.52 32.24 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.764 -0.256 . . . . 4.41 110.518 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -144.66 -174.21 16.7 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.955 -0.64 . . . . 4.49 111.998 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.73 -24.17 36.59 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.424 -0.893 . . . . 6.24 112.542 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.28 137.24 57.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.715 0.293 . . . . 6.29 110.471 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.6 -36.87 2.55 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.822 -0.626 . . . . 8.41 111.611 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.04 -40.77 34.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.4 -0.905 . . . . 10.44 111.263 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 65.12 167.75 0.18 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.697 0.799 . . . . 12.25 112.181 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.36 -40.11 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.578 -0.737 . . . . 11.72 111.854 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.4 mmt 63.08 -167.54 0.21 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.237 0.615 . . . . 14.29 111.693 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.4 mt 71.96 63.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 122.452 1.12 . . . . 14.51 108.996 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.67 20.46 15.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.629 -1.623 . . . . 16.8 108.8 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.696 ' HB3' ' HD2' ' A' ' 73' ' ' PRO . 16.6 mm-40 -80.78 169.53 19.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 114.692 -1.14 . . . . 17.64 109.692 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.696 ' HD2' ' HB3' ' A' ' 72' ' ' GLU . 30.8 Cg_endo -66.07 -179.73 1.53 Allowed 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.221 1.948 . . . . 20.1 112.726 178.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 68.67 148.71 0.06 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.349 -0.841 . . . . 20.94 112.072 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.65 151.53 37.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.745 -0.661 . . . . 22.94 109.541 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 87.8 Cg_exo -53.57 145.93 45.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 121.304 1.336 . . . . 23.54 111.799 176.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 76' ' ' PRO . 42.9 Cg_exo -45.56 125.95 8.18 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.783 2.989 . . . . 25.03 113.761 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.46 -10.69 54.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 115.664 -0.698 . . . . 26.59 114.556 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -95.62 134.92 37.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 118.257 1.029 . . . . 26.61 110.979 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.466 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 40.6 tt0 -116.53 153.13 32.73 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.511 -0.551 . . . . 26.95 109.511 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -135.54 135.18 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.77 109.35 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.925 ' HE2' HG21 ' A' ' 92' ' ' VAL . 18.3 pttt -161.73 158.76 26.32 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.906 -0.776 . . . . 28.23 108.906 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -103.13 157.1 17.23 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.868 0.366 . . . . 29.77 111.504 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.9 p -83.2 -172.65 4.26 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.297 -0.631 . . . . 31.75 109.297 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 p -83.98 12.1 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.915 0.388 . . . . 34.32 111.852 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -121.09 -1.45 9.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.425 -0.583 . . . . 35.43 109.425 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.91 6.46 69.63 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.733 -0.746 . . . . 31.3 112.295 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.36 138.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.757 0.313 . . . . 31.86 110.511 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.553 ' HD3' ' OD2' ' A' ' 103' ' ' ASP . 28.1 ttt180 -90.55 133.06 35.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 28.74 110.857 -177.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -139.67 155.62 47.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.83 -0.433 . . . . 30.27 109.83 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -113.44 151.95 30.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.884 -0.413 . . . . 28.69 109.884 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.925 HG21 ' HE2' ' A' ' 82' ' ' LYS . 18.5 t -119.15 128.45 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 29.13 111.494 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.78 129.84 40.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.195 -1.039 . . . . 29.7 108.195 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -83.24 -22.91 32.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.415 0.524 . . . . 29.9 112.415 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -82.14 -37.07 26.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.888 -0.325 . . . . 31.42 111.529 -174.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.0 p -97.86 -17.09 19.49 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.224 -0.297 . . . . 33.14 111.437 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 57.5 71.04 0.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.049 0.928 . . . . 35.29 109.939 -175.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 t -143.7 169.92 16.83 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.37 -1.286 . . . . 32.59 109.704 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 p -118.64 123.02 43.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.881 -0.414 . . . . 32.77 109.881 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -130.86 158.13 41.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.819 -0.551 . . . . 30.32 110.32 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -105.77 101.93 11.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.425 -0.352 . . . . 31.76 110.722 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -137.64 94.26 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.726 -0.472 . . . . 28.42 109.726 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.583 ' OD1' ' HB2' ' A' ' 105' ' ' ARG . 8.7 t70 -120.37 131.61 24.38 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.008 -0.738 . . . . 27.82 109.008 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.535 ' O ' ' HD3' ' A' ' 106' ' ' PRO . 8.7 Cg_exo -70.58 -11.51 29.88 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.696 2.264 . . . . 26.03 112.773 -178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.583 ' HB2' ' OD1' ' A' ' 103' ' ' ASP . 1.8 mpt_? -76.0 109.75 9.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 122.172 0.189 . . . . 27.8 110.778 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 104' ' ' PRO . 34.2 Cg_exo -57.33 118.89 5.84 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 121.56 1.507 . . . . 29.2 111.861 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.93 -35.8 2.72 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 118.969 -0.906 . . . . 30.61 113.884 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.4 p90 41.25 27.33 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 123.806 0.842 . . . . 30.1 113.052 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.247 0.926 0 N-CA-C 108.717 -0.846 . . . . 32.01 108.717 -178.705 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 112.188 -0.365 . . . . 4.75 112.188 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -76.42 -22.68 54.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.156 0.503 . . . . 2.45 110.864 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -92.32 157.43 16.64 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.734 -0.469 . . . . 2.5 109.734 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.8 mtp -114.0 137.13 52.12 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.379 -0.601 . . . . 2.06 109.379 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.03 117.94 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.143 0.497 . . . . 1.9 111.35 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 56.1 m-85 -113.73 136.51 52.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.364 -0.976 . . . . 0.83 108.364 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HB3' HG22 ' A' ' 20' ' ' THR . 7.1 ptmm? -118.06 152.99 34.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.216 0.531 . . . . 2.57 111.874 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 55' ' ' TYR . 26.9 tp -126.96 146.33 50.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.083 -0.962 . . . . 0.33 110.306 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.871 HG12 ' HG2' ' A' ' 18' ' ' GLU . 91.0 mt -127.35 118.67 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.063 -0.717 . . . . 0.62 109.063 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -91.88 108.89 20.24 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.476 -0.565 . . . . 0.25 109.476 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 58' ' ' THR . 14.4 t-20 -104.68 86.61 2.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.459 -0.571 . . . . 1.96 109.459 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.53 -158.55 9.91 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.91 111.215 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 34.0 mtpt -91.8 -59.3 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.414 0.524 . . . . 3.26 112.414 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -97.23 -12.52 22.89 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.645 -0.659 . . . . 1.93 111.533 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 40' ' ' ASN . 20.0 mt -115.7 98.03 6.46 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.255 0.55 . . . . 1.8 109.89 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -133.54 115.94 15.33 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.14 -0.936 . . . . 2.49 109.658 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.38 -172.1 44.5 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.483 -1.047 . . . . 0.39 110.483 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.871 ' HG2' HG12 ' A' ' 9' ' ' ILE . 3.3 mt-10 -135.69 170.09 16.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.154 0.502 . . . . 1.69 111.061 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -160.93 168.99 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 0.58 109.191 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.524 HG22 ' HB3' ' A' ' 7' ' ' LYS . 9.2 p -142.14 153.66 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 0.38 112.092 -177.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -154.82 156.74 36.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.972 -0.751 . . . . 0.38 108.972 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -105.91 123.83 48.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.891 0.377 . . . . 2.26 110.458 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.57 157.96 44.93 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.808 -0.441 . . . . 0.38 109.808 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.2 m -98.23 7.28 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 1.09 111.387 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -155.11 157.85 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 2.13 111.253 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.94 23.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.804 -0.634 . . . . 0.59 111.354 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.65 76.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.647 0.737 . . . . 0.48 109.531 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -67.18 -30.12 69.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.953 -1.021 . . . . 0.46 110.876 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.82 -37.18 56.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.515 -0.55 . . . . 0.28 109.515 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.19 -62.14 2.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.077 -0.965 . . . . 1.29 110.142 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.11 -43.78 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.243 0.831 . . . . 2.42 113.243 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.79 -49.32 65.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.025 -0.27 . . . . 0.3 111.068 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.08 -21.32 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.522 -0.308 . . . . 1.11 111.422 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.12 -43.33 87.48 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.68 -0.489 . . . . 1.09 109.68 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -70.6 -30.99 67.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.351 -0.611 . . . . 2.2 109.351 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.88 -48.49 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.489 -0.778 . . . . 1.24 110.184 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.21 -38.89 68.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.961 -0.563 . . . . 0.22 110.526 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -58.21 -42.91 87.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.485 -0.779 . . . . 1.39 110.65 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -18.72 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 1.78 111.319 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.401 ' HB3' HD13 ' A' ' 15' ' ' LEU . 36.2 m-80 -99.37 -8.5 24.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.654 0.264 . . . . 1.78 110.808 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.28 27.17 28.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.686 -0.768 . . . . 0.37 112.975 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.28 119.43 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.171 0.51 . . . . 0.46 110.892 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -144.8 145.71 31.77 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.429 -0.952 . . . . 1.86 108.429 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 177.71 -169.53 41.57 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.754 -0.736 . . . . 0.43 111.469 -176.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.92 136.41 57.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.092 -0.336 . . . . 2.79 110.092 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HD1' ' O ' ' A' ' 44' ' ' GLY . 8.0 m95 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.191 0.52 . . . . 0.41 110.893 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -112.94 146.87 38.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.604 -0.726 . . . . 0.63 109.889 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.769 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 24.8 t80 -130.4 130.11 43.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.698 0.285 . . . . 1.18 111.092 -176.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.68 103.93 12.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.477 -1.305 . . . . 2.07 107.477 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -68.12 -22.67 64.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.589 0.218 . . . . 2.28 111.589 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.3 -33.28 69.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.763 0.316 . . . . 0.91 111.082 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.8 p -106.9 -3.29 20.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.247 0.462 . . . . 1.19 112.247 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 6' ' ' TYR . 71.3 mmtt 52.48 49.87 19.5 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.759 0.79 . . . . 2.08 110.333 -177.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -125.04 130.6 52.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.902 -1.045 . . . . 0.51 111.471 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.769 ' CE2' ' HB2' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -100.94 131.21 46.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.348 -0.982 . . . . 1.19 108.348 172.689 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.3 m -116.35 120.99 40.62 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.861 -0.335 . . . . 0.96 111.062 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -106.12 110.74 32.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 108.562 -0.903 . . . . 0.3 108.562 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.457 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 13.6 m -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.595 -0.729 . . . . 0.52 111.029 -176.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -79.18 135.08 36.7 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.95 -1.13 . . . . 2.56 107.95 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.99 106.38 0.39 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.776 -1.202 . . . . 2.32 111.452 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 p -126.29 123.21 37.57 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.836 0.351 . . . . 4.41 110.373 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.02 42.34 2.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.117 -0.563 . . . . 4.49 112.958 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.41 -25.54 25.69 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 6.24 111.34 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 66.99 -74.12 0.07 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.541 0.736 . . . . 6.29 111.461 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -178.73 164.2 32.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.894 -0.669 . . . . 8.41 112.167 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.03 23.48 11.48 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.223 -0.751 . . . . 10.44 111.223 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -88.14 133.73 33.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.812 0.339 . . . . 12.25 110.672 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.52 -148.33 24.0 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.911 -0.661 . . . . 11.72 111.779 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.1 ptp -154.1 150.93 28.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.16 0.48 . . . . 14.29 110.632 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.2 mt -115.11 26.0 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.076 -1.083 . . . . 14.51 108.076 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -89.98 21.7 3.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.755 -1.111 . . . . 16.8 111.673 -176.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -74.0 131.26 81.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.041 -0.355 . . . . 17.64 110.041 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.55 -179.54 5.53 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 122.468 2.112 . . . . 20.1 112.97 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 66.35 -167.19 0.21 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.057 -0.974 . . . . 20.94 111.132 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 ' H ' ' A' ' 75' ' ' LEU . 2.9 mm? -63.46 119.52 54.22 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.416 -0.811 . . . . 22.94 110.336 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -65.28 153.6 77.47 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.164 1.91 . . . . 23.54 111.112 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -46.88 124.13 8.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.653 2.236 . . . . 25.03 111.783 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.6 27.74 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.311 -0.947 . . . . 26.59 113.475 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -93.36 131.7 38.27 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.694 0.747 . . . . 26.61 110.539 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.448 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 45.7 mt-10 -123.73 143.81 50.06 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.728 -0.471 . . . . 26.95 109.728 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -117.41 127.89 54.47 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.471 -0.566 . . . . 25.77 109.471 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -143.91 157.34 44.42 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.428 -0.582 . . . . 28.23 109.428 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -109.56 151.16 27.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.031 -0.359 . . . . 29.77 110.031 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -80.9 -170.01 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 31.75 109.476 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 p -85.19 8.18 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.216 0.531 . . . . 34.32 111.471 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -121.1 0.82 10.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.446 0.641 . . . . 35.43 109.569 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.31 10.34 74.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.585 -0.816 . . . . 31.3 112.256 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.3 t -80.87 140.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.794 -0.447 . . . . 31.86 109.794 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -93.49 130.47 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.907 -0.588 . . . . 28.74 111.46 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -141.74 158.43 43.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.415 -0.587 . . . . 30.27 109.415 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -114.5 155.35 26.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.257 0.551 . . . . 28.69 111.341 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 57.6 t -127.08 122.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 29.13 111.167 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 98.32 10.52 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.377 -0.971 . . . . 29.7 108.377 175.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -72.86 -16.17 61.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.909 0.385 . . . . 29.9 110.665 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -75.89 -39.36 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.513 . . . . 31.42 111.145 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.8 p -104.6 -10.57 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 33.14 111.029 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 62.97 56.7 1.77 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 122.024 0.916 . . . . 35.29 110.764 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.2 p -139.83 157.88 45.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.788 -1.551 . . . . 32.59 110.049 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 p -98.15 147.92 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.076 -0.342 . . . . 32.77 110.076 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 t -145.81 153.3 40.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.408 -0.59 . . . . 30.32 109.408 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.725 ' HE1' ' HE2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -122.83 98.6 5.98 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.593 -0.443 . . . . 31.76 110.271 -176.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -142.02 112.87 7.35 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.442 -0.345 . . . . 28.42 111.42 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 105' ' ' ARG . 16.2 t70 -120.29 131.83 24.31 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.56 -0.533 . . . . 27.82 109.56 176.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.429 ' HG2' ' NH1' ' A' ' 105' ' ' ARG . 78.5 Cg_endo -86.4 16.98 1.84 Allowed 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.773 2.315 . . . . 26.03 114.445 -176.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.57 ' HB2' ' OD2' ' A' ' 103' ' ' ASP . 4.7 mpt_? -99.94 141.57 23.01 Favored Pre-proline 0 C--N 1.319 -0.742 0 C-N-CA 120.892 -0.323 . . . . 27.8 110.662 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.07 135.86 36.06 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.667 2.245 . . . . 29.2 112.609 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.17 -31.2 8.74 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 120.68 -0.771 . . . . 30.61 113.768 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.725 ' HE2' ' HE1' ' A' ' 101' ' ' PHE . 56.1 t80 -102.27 81.51 2.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.016 0.908 . . . . 30.1 110.119 -177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 118.571 -0.728 . . . . 32.01 109.111 178.58 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 111.159 -0.776 . . . . 4.75 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m 60.31 -159.82 0.3 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.616 0.366 . . . . 2.45 110.953 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -86.5 150.45 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.127 -0.694 . . . . 2.5 109.127 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.1 mtp -112.15 138.54 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.041 -0.355 . . . . 2.06 110.041 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -80.3 126.21 30.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 1.9 110.836 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -119.93 146.49 45.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.306 -0.998 . . . . 0.83 108.306 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.635 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.68 151.58 44.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.837 0.351 . . . . 2.57 111.358 -176.529 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 19.1 tp -128.95 144.55 51.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 0.33 110.26 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.721 HG12 ' HG2' ' A' ' 18' ' ' GLU . 71.1 mt -126.89 117.55 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.862 -0.608 . . . . 0.62 109.438 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.454 HD21 ' HE2' ' A' ' 36' ' ' TYR . 1.1 mm? -90.67 110.5 21.67 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.1 -0.704 . . . . 0.25 109.1 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -107.92 87.37 2.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.737 -0.838 . . . . 1.96 108.737 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -158.82 8.95 Favored Glycine 0 CA--C 1.506 -0.494 0 CA-C-N 115.462 -0.79 . . . . 0.91 111.592 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -94.67 -59.83 1.84 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.511 0.56 . . . . 3.26 112.511 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.3 1.03 54.32 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.555 0.693 . . . . 1.93 110.1 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.72 98.98 4.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.411 -0.813 . . . . 1.8 109.251 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -132.09 116.37 16.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.235 -0.893 . . . . 2.49 108.962 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.82 -170.93 43.44 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.254 -0.974 . . . . 0.39 111.855 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.721 ' HG2' HG12 ' A' ' 9' ' ' ILE . 33.6 mt-10 -136.99 167.89 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.282 . . . . 1.69 110.465 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -167.0 158.54 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.359 -0.608 . . . . 0.58 109.359 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.6 p -131.88 158.39 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 0.38 111.701 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -160.2 157.22 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.88 -0.785 . . . . 0.38 108.88 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -97.57 145.55 26.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.748 0.308 . . . . 2.26 110.301 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.84 158.01 34.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.923 -0.769 . . . . 0.38 108.923 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 m -95.05 -11.03 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.399 -0.52 . . . . 1.09 112.27 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.7 156.54 45.04 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.109 -0.33 . . . . 2.13 110.109 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.871 0.367 . . . . 0.59 110.881 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.01 -28.71 68.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.48 111.168 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -75.64 -28.35 58.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 0.46 110.982 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.29 71.83 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.379 0.609 . . . . 0.28 109.471 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -56.67 -65.42 0.62 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.82 -1.082 . . . . 1.29 110.08 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -48.08 -41.4 26.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.639 -1.164 . . . . 2.42 113.212 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.03 -48.12 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.961 0.41 . . . . 0.3 110.777 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.63 -20.55 64.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.11 111.418 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -66.09 -39.9 90.37 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.086 0.47 . . . . 1.09 109.875 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -72.7 -32.6 65.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 2.2 108.754 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.454 ' HE2' HD21 ' A' ' 10' ' ' LEU . 56.4 t80 -65.45 -52.65 51.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 1.24 110.553 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.76 74.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 0.22 110.152 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -63.91 -39.3 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.89 -0.595 . . . . 1.39 110.397 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.3 -27.37 67.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.001 -0.545 . . . . 1.78 111.086 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -93.36 -5.63 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.185 0.517 . . . . 1.78 110.636 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 14.73 77.27 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.783 -0.644 . . . . 0.37 113.596 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.94 123.18 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 117.303 0.552 . . . . 0.46 111.023 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -141.63 137.24 31.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.634 -0.712 . . . . 1.86 109.7 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.81 -170.15 41.9 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.925 -0.87 . . . . 0.43 110.925 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.51 147.57 52.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.978 0.389 . . . . 2.79 110.481 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -112.41 116.28 30.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.71 -0.677 . . . . 0.41 110.918 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.5 p -107.27 157.49 17.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.049 -0.523 . . . . 0.63 110.335 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -146.78 142.25 27.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 1.18 110.58 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -122.2 138.98 54.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.822 -1.177 . . . . 2.07 107.822 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.48 -30.84 21.7 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.529 -0.468 . . . . 2.28 111.419 -173.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.68 68.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.506 -0.315 . . . . 0.91 111.346 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.506 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 19.5 p -110.92 -17.48 13.3 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.812 1.042 . . . . 1.19 113.812 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 65.96 13.87 9.29 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.099 0.476 . . . . 2.08 110.911 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.63 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 11.5 m -77.42 123.52 26.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.51 112.031 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 15.9 m-85 -96.61 135.64 38.23 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.158 -1.053 . . . . 1.19 108.158 172.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.48 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 85.0 m -129.37 129.77 45.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 0.96 111.581 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.43 113.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.688 -0.856 . . . . 0.3 108.688 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -102.22 125.21 48.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.735 -0.666 . . . . 0.52 111.091 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.54 88.78 7.02 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.005 -0.543 . . . . 2.56 110.78 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.31 153.15 13.72 Favored Glycine 0 C--N 1.341 0.807 0 N-CA-C 114.923 0.729 . . . . 2.32 114.923 172.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 m -102.37 -52.41 3.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.435 -0.58 . . . . 4.41 109.435 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.94 120.83 1.58 Allowed Glycine 0 CA--C 1.523 0.531 0 C-N-CA 120.887 -0.673 . . . . 4.49 112.77 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.81 7.07 82.42 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.307 -0.949 . . . . 6.24 111.985 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 68.48 173.47 0.28 Allowed 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.403 0.681 . . . . 6.29 111.64 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -119.47 170.6 14.07 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.473 -0.785 . . . . 8.41 111.625 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.2 -36.8 55.74 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.112 -0.566 . . . . 10.44 112.694 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 64.44 -178.46 0.17 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.899 0.381 . . . . 12.25 110.984 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.44 -179.53 28.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.954 -0.641 . . . . 11.72 113.032 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.2 tpt -149.43 113.19 5.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.47 -0.567 . . . . 14.29 109.47 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.6 mm -134.18 92.67 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 109.862 -0.421 . . . . 14.51 109.862 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -123.69 9.74 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.714 0.769 . . . . 16.8 110.604 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -81.9 152.62 69.12 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 114.607 -1.179 . . . . 17.64 110.184 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.28 169.04 23.37 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 122.17 1.913 . . . . 20.1 111.753 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.67 178.15 2.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.711 -0.677 . . . . 20.94 111.126 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.41 150.41 51.48 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.207 -0.664 . . . . 22.94 109.207 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -52.12 153.39 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.79 1.66 . . . . 23.54 111.88 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -62.36 131.01 32.19 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.064 1.843 . . . . 25.03 111.229 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.56 -22.64 32.09 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.537 -0.84 . . . . 26.59 112.808 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -93.38 141.07 28.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.072 0.436 . . . . 26.61 110.61 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.674 ' HG2' ' HE2' ' A' ' 82' ' ' LYS . 6.8 tp10 -134.07 149.27 51.13 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.531 -0.544 . . . . 26.95 109.531 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -129.26 123.53 32.17 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.543 -0.299 . . . . 25.77 110.355 -177.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.674 ' HE2' ' HG2' ' A' ' 80' ' ' GLU . 63.2 mttm -146.11 157.34 43.84 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.003 -0.74 . . . . 28.23 109.003 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.68 150.92 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.23 -0.285 . . . . 29.77 110.23 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.1 p -78.58 -174.64 3.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.652 -0.499 . . . . 31.75 109.652 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.29 87.67 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.958 0.355 . . . . 34.32 111.958 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.72 7.27 24.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.828 0.347 . . . . 35.43 110.951 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.57 25.92 57.75 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.506 -0.854 . . . . 31.3 113.412 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.41 138.4 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.131 -0.692 . . . . 31.86 109.131 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -84.66 122.22 28.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.197 -0.456 . . . . 28.74 112.151 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -133.48 156.27 48.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.837 -0.801 . . . . 30.27 108.837 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -116.59 149.94 38.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 28.69 110.789 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 56.2 t -113.98 107.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 29.13 110.983 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.24 96.3 5.2 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.091 -0.707 . . . . 29.7 109.091 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -73.64 -14.72 61.22 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.319 -0.552 . . . . 29.9 110.961 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -75.07 -35.73 61.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 31.42 111.467 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 p -113.69 -1.97 13.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.072 0.463 . . . . 33.14 110.878 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 59.15 74.27 0.45 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.058 -0.974 . . . . 35.29 111.268 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 t -160.94 177.84 9.98 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.476 -1.238 . . . . 32.59 110.605 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.6 p -123.65 145.23 49.1 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.104 -0.702 . . . . 32.77 109.104 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 t -150.57 158.43 44.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.918 -0.489 . . . . 30.32 111.325 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -110.5 102.41 11.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.681 -0.69 . . . . 31.76 110.668 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 102' ' ' LYS . 26.6 mtpp -132.98 94.85 3.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.748 0.309 . . . . 28.42 110.839 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -120.26 139.23 28.22 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.117 -0.697 . . . . 27.82 109.117 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.11 -14.96 40.9 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.909 2.406 . . . . 26.03 113.359 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -97.09 109.72 50.66 Favored Pre-proline 0 CA--C 1.534 0.338 0 C-N-CA 121.176 -0.209 . . . . 27.8 110.589 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.92 118.93 3.83 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 121.291 1.327 . . . . 29.2 111.825 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.21 -28.47 2.61 Favored Glycine 0 CA--C 1.522 0.49 0 CA-C-N 116.046 -0.524 . . . . 30.61 112.313 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.5 t80 66.9 7.82 5.6 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.087 0.47 . . . . 30.1 110.564 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--O 1.249 1.033 0 N-CA-C 108.86 -0.793 . . . . 32.01 108.86 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.989 0 N-CA-C 111.619 -0.593 . . . . 4.75 111.619 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t 71.75 -58.99 0.57 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.238 0.615 . . . . 2.45 110.978 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -111.41 169.4 8.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.324 -0.398 . . . . 2.5 110.152 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 ptp -129.84 134.52 47.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.141 -1.059 . . . . 2.06 108.141 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -70.39 133.7 47.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 1.9 112.225 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -130.27 143.44 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.694 -0.854 . . . . 0.83 108.694 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.716 ' HB3' HG22 ' A' ' 20' ' ' THR . 5.2 ptpp? -133.01 156.64 46.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.017 0.437 . . . . 2.57 111.649 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.579 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 9.6 tp -132.73 137.1 46.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.155 -0.93 . . . . 0.33 109.449 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -116.25 121.59 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 0.62 108.865 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -89.49 108.84 19.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.411 -0.588 . . . . 0.25 109.411 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.659 ' CB ' HG23 ' A' ' 58' ' ' THR . 7.9 m120 -102.15 86.84 2.93 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.298 -0.865 . . . . 1.96 108.879 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.589 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -154.72 142.11 8.74 Favored Glycine 0 N--CA 1.438 -1.198 0 C-N-CA 119.91 -1.138 . . . . 0.91 111.928 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 mtpp -52.72 -27.88 19.54 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 123.947 0.899 . . . . 3.26 112.524 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.5 m -91.0 -26.48 19.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.742 0.306 . . . . 1.93 111.335 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -147.57 102.56 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 1.8 111.226 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 2.6 mptt -114.13 119.8 38.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.905 -0.776 . . . . 2.49 108.905 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.97 -167.35 38.61 Favored Glycine 0 CA--C 1.499 -0.945 0 N-CA-C 111.365 -0.694 . . . . 0.39 111.365 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -164.02 156.33 17.17 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.711 0.291 . . . . 1.69 110.362 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.1 t -152.1 172.24 16.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 0.58 109.63 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.716 HG22 ' HB3' ' A' ' 7' ' ' LYS . 20.1 p -132.5 157.81 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 0.38 111.951 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -150.92 148.4 28.37 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.777 -0.647 . . . . 0.38 109.409 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -96.5 104.02 15.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.832 -0.433 . . . . 2.26 109.832 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.14 158.38 17.47 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.571 -0.451 . . . . 0.38 110.446 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.02 7.15 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.538 0.209 . . . . 1.09 111.388 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -159.72 166.96 29.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.985 -0.746 . . . . 2.13 108.985 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.92 -57.85 3.54 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.951 0.352 . . . . 0.59 111.951 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -24.6 64.64 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.838 0.31 . . . . 0.48 111.838 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -67.21 -28.43 68.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.909 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -35.84 63.76 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.99 0.424 . . . . 0.28 110.148 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 7.1 tt0 -62.58 -60.26 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.408 -0.815 . . . . 1.29 109.965 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.61 -41.4 30.8 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.242 -0.89 . . . . 2.42 113.117 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.79 -50.44 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 122.265 -0.272 . . . . 0.3 111.36 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 4.3 m-85 -64.06 -22.0 66.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.577 0.214 . . . . 1.11 111.577 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.2 mtpt -70.51 -41.18 72.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.989 0.423 . . . . 1.09 109.908 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -65.61 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.882 -0.785 . . . . 2.2 108.882 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.414 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 34.1 t80 -65.13 -53.09 50.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.92 -1.037 . . . . 1.24 110.787 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.5 -30.06 70.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.16 0.505 . . . . 0.22 110.729 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -65.31 -25.29 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 1.39 110.853 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.19 -31.28 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.305 0.483 . . . . 1.78 112.305 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -92.75 -6.15 49.68 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.216 -0.594 . . . . 1.78 110.883 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.86 32.9 48.05 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.773 -0.648 . . . . 0.37 113.586 176.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.65 120.85 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.091 0.472 . . . . 0.46 110.319 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.06 138.54 46.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.81 -0.632 . . . . 1.86 109.763 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.26 -170.43 42.04 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.035 -0.826 . . . . 0.43 111.035 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.65 143.17 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.563 0.22 . . . . 2.79 110.434 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.595 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.5 m95 -110.55 101.32 10.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.382 0.611 . . . . 0.41 110.463 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 12.1 p -103.89 160.16 15.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 0.63 110.787 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -147.94 142.85 26.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.693 0.282 . . . . 1.18 110.841 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.75 144.54 50.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.449 -0.945 . . . . 2.07 108.449 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -90.16 -20.79 22.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.625 -0.43 . . . . 2.28 111.303 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.96 73.61 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.062 -0.255 . . . . 0.91 111.655 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.6 p -118.44 4.3 11.79 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.758 0.651 . . . . 1.19 112.758 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.93 47.34 23.35 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.533 0.682 . . . . 2.08 110.063 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -112.02 121.89 46.25 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.549 -0.751 . . . . 0.51 112.218 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 48.9 m-85 -87.94 130.54 34.9 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.763 -1.569 . . . . 1.19 106.763 171.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.48 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 30.6 m -125.38 126.02 44.34 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.851 -0.531 . . . . 0.96 111.605 -177.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.66 114.64 47.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.432 -0.951 . . . . 0.3 108.432 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.659 HG23 ' CB ' ' A' ' 11' ' ' ASN . 1.2 m -118.75 128.5 54.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 0.52 111.773 -174.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -80.13 153.94 28.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.7 . . . . 2.56 109.485 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.62 170.03 15.41 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.431 -0.89 . . . . 2.32 112.0 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.3 t -105.32 -35.75 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.985 0.422 . . . . 4.41 110.325 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.07 -59.66 4.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.875 -0.678 . . . . 4.49 112.404 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.86 -41.17 50.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.492 -0.861 . . . . 6.24 112.036 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.25 100.07 11.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.953 -0.388 . . . . 6.29 109.953 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.68 38.23 0.76 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.632 -0.794 . . . . 8.41 112.144 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.2 -21.94 46.96 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.57 -0.824 . . . . 10.44 112.078 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 64.9 -165.29 0.24 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.99 0.424 . . . . 12.25 111.456 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.61 -119.46 1.16 Allowed Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.794 -0.717 . . . . 11.72 111.367 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 45.0 ttp -149.95 164.15 36.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.55 0.675 . . . . 14.29 109.289 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.9 mt -137.9 95.39 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.241 -0.652 . . . . 14.51 109.241 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.5 pt20 -120.21 7.16 10.74 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.856 0.836 . . . . 16.8 109.777 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.45 151.35 80.52 Favored Pre-proline 0 C--N 1.313 -1.006 0 CA-C-N 114.275 -1.33 . . . . 17.64 110.097 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.84 -178.62 0.42 Allowed 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.962 2.441 . . . . 20.1 113.543 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -127.83 -178.12 4.38 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.939 -1.028 . . . . 20.94 111.15 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 79' ' ' TRP . 4.4 mm? -83.08 136.0 44.25 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 22.94 110.831 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 75' ' ' LEU . 32.0 Cg_exo -65.5 159.55 47.28 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.33 2.02 . . . . 23.54 110.429 175.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.79 128.78 26.71 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.819 1.679 . . . . 25.03 111.09 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.93 -29.34 12.71 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.631 -0.795 . . . . 26.59 112.622 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.503 ' HB3' HD12 ' A' ' 75' ' ' LEU . 77.6 m95 -88.13 122.1 31.3 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.319 0.56 . . . . 26.61 109.954 177.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.6 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 23.7 mt-10 -110.56 149.5 30.3 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.482 -0.487 . . . . 26.95 110.977 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.477 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . 7.8 ttt -121.1 126.39 49.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 25.77 110.318 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.436 ' NZ ' HG21 ' A' ' 92' ' ' VAL . 45.4 mttp -143.18 158.08 43.94 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.307 -0.627 . . . . 28.23 109.307 -176.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -110.58 162.06 15.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.069 0.461 . . . . 29.77 111.979 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 p -103.28 176.05 5.27 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.632 -1.248 . . . . 31.75 107.632 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 p -80.85 8.06 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.889 -0.507 . . . . 34.32 112.332 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -109.75 -0.3 18.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.332 -0.618 . . . . 35.43 109.332 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.82 7.35 68.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.685 -0.688 . . . . 31.3 112.093 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.3 t -81.93 140.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.046 0.45 . . . . 31.86 110.925 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 28.74 110.763 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -122.45 156.07 34.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.308 -0.627 . . . . 30.27 109.308 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 81' ' ' MET . 86.1 m-85 -120.86 153.54 37.01 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.459 0.647 . . . . 28.69 111.396 -176.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.6 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 48.5 t -117.96 103.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.785 -1.098 . . . . 29.13 110.167 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.61 124.64 28.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.395 -1.335 . . . . 29.7 107.395 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -87.97 -12.38 44.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.41 0.893 . . . . 29.9 113.41 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -89.14 -36.7 15.56 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.618 -0.833 . . . . 31.42 111.332 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.5 p -90.07 -19.0 24.87 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.065 -0.397 . . . . 33.14 110.083 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 60.4 43.54 13.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.465 1.126 . . . . 35.29 109.445 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 m -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 113.077 -1.874 . . . . 32.59 108.995 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -88.21 143.14 27.22 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.128 0.422 . . . . 32.77 110.574 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.0 t -151.09 155.08 38.21 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.804 0.335 . . . . 30.32 110.691 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -99.36 100.47 11.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.366 -0.605 . . . . 31.76 109.366 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -132.44 104.47 6.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.858 0.361 . . . . 28.42 111.381 -176.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.96 139.33 20.95 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.258 -0.428 . . . . 27.82 110.122 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.68 -21.54 38.86 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 122.881 2.387 . . . . 26.03 113.997 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.55 128.13 60.32 Favored Pre-proline 0 C--N 1.331 -0.224 0 C-N-CA 120.489 -0.484 . . . . 27.8 109.864 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.43 118.47 5.36 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.722 1.614 . . . . 29.2 112.349 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.89 -26.25 1.74 Allowed Glycine 0 CA--C 1.525 0.692 0 CA-C-O 119.251 -0.749 . . . . 30.61 113.553 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.5 p90 40.41 36.27 0.34 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.52 0.728 . . . . 30.1 111.587 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.058 -0.974 . . . . 32.01 108.845 -178.424 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.457 0 N-CA-C 111.824 -0.51 . . . . 4.75 111.824 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 m -90.76 147.93 22.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.617 0.246 . . . . 2.45 110.535 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.45 ' HD2' ' H ' ' A' ' 3' ' ' HIS . 0.3 OUTLIER -110.06 130.43 55.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.765 -0.457 . . . . 2.5 109.765 179.445 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.7 mtp -102.23 138.76 38.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.861 -0.335 . . . . 2.06 110.208 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.81 118.32 23.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.279 -0.419 . . . . 1.9 110.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.93 152.57 20.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.83 109.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HB3' HG23 ' A' ' 54' ' ' THR . 79.2 tttt -117.12 136.29 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.01 -0.541 . . . . 2.57 110.292 -178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -118.98 141.8 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.575 -0.45 . . . . 0.33 110.35 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -123.86 113.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.943 -0.762 . . . . 0.62 108.943 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.2 mm? -87.32 109.52 19.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.563 -0.903 . . . . 0.25 108.563 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -103.74 87.75 2.89 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.962 -0.755 . . . . 1.96 108.962 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.17 -173.26 13.82 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.005 -1.093 . . . . 0.91 113.432 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HG2' ' H ' ' A' ' 13' ' ' LYS . 8.2 pttp -80.42 -60.37 2.35 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.326 -0.437 . . . . 3.26 112.103 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -94.05 -25.83 17.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.815 0.341 . . . . 1.93 110.632 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -120.49 106.25 11.63 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.395 -0.366 . . . . 1.8 111.875 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.85 137.96 45.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.438 -0.949 . . . . 2.49 108.438 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.43 -162.25 30.11 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.79 -0.719 . . . . 0.39 111.659 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.32 164.36 28.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 1.69 110.502 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 36' ' ' TYR . 8.9 t -161.75 168.37 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.93 -0.767 . . . . 0.58 108.93 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.6 p -137.62 152.8 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.53 0.205 . . . . 0.38 111.287 -176.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 t -154.58 156.21 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.395 -0.595 . . . . 0.38 109.395 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.6 139.76 34.79 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.833 -0.432 . . . . 2.26 109.833 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.46 151.64 29.19 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.16 -0.311 . . . . 0.38 110.16 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -97.02 -8.55 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.662 0.268 . . . . 1.09 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -137.47 158.78 43.67 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.453 -0.573 . . . . 2.13 109.453 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.79 -44.13 51.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.582 -0.525 . . . . 0.59 109.582 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.57 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -58.87 -40.86 85.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.5 -0.773 . . . . 0.48 111.008 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -67.9 -28.16 67.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 0.46 111.597 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.63 -38.17 67.82 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.294 0.569 . . . . 0.28 109.537 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 26.6 tt0 -60.02 -55.75 30.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.781 -1.1 . . . . 1.29 109.722 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.5 mmtp -50.11 -44.87 52.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.349 -0.841 . . . . 2.42 112.622 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -71.38 -48.15 55.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.078 0.466 . . . . 0.3 111.137 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.71 -22.38 65.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.789 -0.641 . . . . 1.11 111.77 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.7 mtpp -71.1 -41.48 70.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.916 -0.401 . . . . 1.09 109.916 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.41 -33.87 76.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.291 -0.633 . . . . 2.2 109.291 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.464 ' HE2' HD21 ' A' ' 10' ' ' LEU . 47.6 t80 -64.43 -50.25 68.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.631 -0.713 . . . . 1.24 110.554 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 0.22 109.949 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.17 -45.74 90.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 1.39 110.758 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.28 -23.94 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.78 111.261 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -88.94 -18.41 27.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 1.78 110.851 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.44 16.21 55.67 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.857 -0.687 . . . . 0.37 112.714 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.43 122.28 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 120.976 0.417 . . . . 0.46 110.42 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -144.66 139.46 28.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 1.86 109.705 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.62 -170.82 42.94 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.72 -0.952 . . . . 0.43 110.72 -176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.46 150.15 32.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.891 0.345 . . . . 2.79 110.343 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.64 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.1 m95 -114.12 107.71 16.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 0.41 111.482 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 p -100.9 154.92 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 0.63 110.176 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -156.19 154.47 30.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.18 110.692 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -134.2 138.68 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.003 -0.74 . . . . 2.07 109.003 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.597 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 36.7 t70 -90.39 5.0 49.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 2.28 111.341 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.47 -40.15 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.843 -0.536 . . . . 0.91 111.709 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -113.46 -3.35 13.72 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.296 0.85 . . . . 1.19 113.296 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER 61.28 29.17 18.52 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.035 0.445 . . . . 2.08 110.407 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.404 HG23 ' HB3' ' A' ' 7' ' ' LYS . 2.4 m -97.32 123.9 41.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.445 -0.343 . . . . 0.51 111.284 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.96 149.48 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.269 -0.641 . . . . 1.19 109.269 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.5 m -142.07 126.59 17.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.045 0.45 . . . . 0.96 111.309 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -106.12 112.9 41.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.155 -1.054 . . . . 0.3 108.155 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -104.31 126.36 51.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.601 -0.727 . . . . 0.52 112.004 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.94 113.98 25.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.315 -0.994 . . . . 2.56 108.315 176.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.62 109.35 2.98 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.279 -0.962 . . . . 2.32 111.017 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.8 m -126.06 169.86 12.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.766 0.317 . . . . 4.41 111.103 -176.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.0 167.32 29.28 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.901 -0.59 . . . . 4.49 113.128 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -131.21 6.59 5.68 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.661 -0.576 . . . . 6.24 111.661 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 73.39 -64.52 0.39 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.589 0.756 . . . . 6.29 111.56 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.29 -174.36 34.81 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.471 -0.652 . . . . 8.41 111.471 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.0 -40.98 1.47 Allowed Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.967 -0.635 . . . . 10.44 112.615 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -133.4 107.27 7.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.832 0.349 . . . . 12.25 110.203 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.26 49.96 0.28 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.748 -0.739 . . . . 11.72 112.052 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.2 tpt -147.32 83.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.168 0.509 . . . . 14.29 110.472 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.7 mt -143.01 95.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.131 -0.692 . . . . 14.51 109.131 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -125.54 10.17 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.159 0.504 . . . . 16.8 110.541 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -92.3 146.42 32.54 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 115.535 -0.757 . . . . 17.64 110.044 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.23 176.28 7.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.624 2.216 . . . . 20.1 113.372 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.68 178.3 10.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.008 -0.996 . . . . 20.94 110.061 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -95.33 148.89 35.37 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 110.057 -0.349 . . . . 22.94 110.057 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 16.5 Cg_exo -71.19 154.37 61.93 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.15 1.9 . . . . 23.54 111.146 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -49.88 124.37 12.4 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.915 2.41 . . . . 25.03 112.564 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.43 -25.46 24.41 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.663 -0.78 . . . . 26.59 113.974 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.481 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 77.8 m95 -87.17 137.88 31.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.795 0.797 . . . . 26.61 110.025 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.598 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 95.8 mt-10 -132.01 129.89 40.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.842 0.353 . . . . 26.95 110.521 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.9 ttt -94.86 129.54 41.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.093 -0.706 . . . . 25.77 109.093 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -143.77 157.36 44.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.683 -0.488 . . . . 28.23 109.683 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -116.09 146.4 42.25 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 110.218 -0.29 . . . . 29.77 110.218 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.475 ' OG1' ' HB ' ' A' ' 88' ' ' VAL . 58.4 p -82.9 -175.0 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.442 -0.577 . . . . 31.75 109.442 174.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -57.79 -48.19 80.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.306 0.484 . . . . 34.32 112.306 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.35 9.85 12.11 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.885 0.328 . . . . 35.43 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.07 24.5 48.18 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.653 -0.784 . . . . 31.3 113.983 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.475 ' HB ' ' OG1' ' A' ' 84' ' ' THR . 92.4 t -80.48 124.5 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.417 0.609 . . . . 31.86 109.487 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.1 117.84 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.721 -0.672 . . . . 28.74 111.424 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -131.14 154.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.19 -0.67 . . . . 30.27 109.19 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -112.32 145.82 39.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.296 0.57 . . . . 28.69 111.022 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 65.5 t -114.92 112.42 39.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.286 -0.87 . . . . 29.13 111.365 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.72 92.29 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.985 -1.117 . . . . 29.7 107.985 174.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 6.57 6.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.123 0.487 . . . . 29.9 110.452 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.27 -50.81 5.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.074 -0.512 . . . . 31.42 110.807 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 p -105.89 4.51 29.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.933 0.345 . . . . 33.14 111.933 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 60.51 76.98 0.34 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.859 0.838 . . . . 35.29 110.901 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.92 157.99 38.6 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.394 -1.275 . . . . 32.59 110.045 -176.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 p -123.27 132.7 54.11 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.808 -0.442 . . . . 32.77 109.808 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.0 t -139.56 158.52 43.98 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.327 0.584 . . . . 30.32 111.54 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -108.66 99.56 8.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 31.76 110.122 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.14 112.54 7.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.834 0.349 . . . . 28.42 110.346 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -104.07 145.4 30.59 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.092 -0.707 . . . . 27.82 109.092 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.487 ' HB2' HH11 ' A' ' 105' ' ' ARG . 0.9 OUTLIER -49.05 -37.32 37.53 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.733 2.288 . . . . 26.03 112.811 178.473 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.487 HH11 ' HB2' ' A' ' 104' ' ' PRO . 4.7 mpt_? -110.37 111.98 57.26 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.763 -0.199 . . . . 27.8 110.54 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -79.38 132.85 10.37 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 121.939 1.759 . . . . 29.2 112.877 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.67 -32.35 3.7 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-O 119.345 -0.697 . . . . 30.61 113.589 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.7 p90 41.46 30.14 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.807 0.843 . . . . 30.1 112.968 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.161 -0.923 . . . . 32.01 111.265 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.459 -0.256 . . . . 4.75 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t 68.09 176.94 0.26 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.12 0.486 . . . . 2.45 111.159 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 62.9 m170 -119.86 162.6 18.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 2.5 110.067 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mtp -136.24 134.7 38.37 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.431 -0.951 . . . . 2.06 108.431 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.543 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 6.6 tp-100 -79.6 135.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 1.9 111.317 -176.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -127.14 152.6 47.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.407 -0.815 . . . . 0.83 109.257 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 54' ' ' THR . 28.5 ttmt -132.89 133.31 43.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.461 -0.2 . . . . 2.57 110.461 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.8 tp -116.33 141.84 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.861 -0.422 . . . . 0.33 109.861 175.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.843 HG12 ' HG2' ' A' ' 18' ' ' GLU . 77.6 mt -118.15 123.28 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.97 -0.752 . . . . 0.62 108.97 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.4 mm? -92.61 106.0 18.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.575 -0.45 . . . . 0.25 110.088 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -96.68 87.46 4.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.697 -0.853 . . . . 1.96 108.697 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.36 -166.82 11.78 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.168 -0.924 . . . . 0.91 111.854 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -90.24 -57.13 2.95 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 111.809 0.3 . . . . 3.26 111.809 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -101.51 5.55 41.9 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.172 0.51 . . . . 1.93 110.729 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.48 98.77 4.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.641 -0.709 . . . . 1.8 109.533 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 18.7 mtpp -133.42 110.56 10.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.499 -0.773 . . . . 2.49 109.244 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.07 -165.72 35.37 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.912 -0.661 . . . . 0.39 111.81 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.843 ' HG2' HG12 ' A' ' 9' ' ' ILE . 26.4 mt-10 -138.34 168.29 20.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.761 0.28 . . . . 1.69 110.894 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.42 HG21 ' CZ ' ' A' ' 36' ' ' TYR . 9.3 t -163.92 149.86 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 0.58 109.543 175.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.543 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 38.8 p -116.84 163.46 16.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.595 -0.275 . . . . 0.38 110.951 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -158.35 153.23 25.06 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.638 -0.505 . . . . 0.38 109.638 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 30.9 mt-10 -98.23 105.66 17.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.573 -0.285 . . . . 2.26 110.265 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.83 152.34 47.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.856 -0.424 . . . . 0.38 109.856 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' HG22 ' A' ' 24' ' ' VAL . 7.1 p -101.92 0.93 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-O 121.429 0.633 . . . . 1.09 110.896 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -146.39 157.06 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 2.13 111.145 -176.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.07 46.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 0.59 111.443 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.6 70.74 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.613 -0.514 . . . . 0.48 109.613 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -64.61 -29.5 70.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.714 . . . . 0.46 110.249 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.33 -38.17 63.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.131 0.491 . . . . 0.28 109.687 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.607 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 16.8 tt0 -61.02 -53.75 53.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.409 -0.814 . . . . 1.29 109.488 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -54.7 -44.85 73.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.035 0.754 . . . . 2.42 113.035 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.54 -48.33 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.846 0.355 . . . . 0.3 111.215 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.468 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 3.1 m-85 -70.55 -21.86 62.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.58 0.585 . . . . 1.11 112.58 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 45.7 mtpt -77.16 -39.22 49.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.551 -0.537 . . . . 1.09 109.551 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.04 93.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.496 -1.298 . . . . 2.2 107.496 174.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.468 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 34.3 t80 -60.84 -55.26 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.132 -1.395 . . . . 1.24 110.725 175.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.0 67.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.363 0.601 . . . . 0.22 110.789 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.63 -26.81 65.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 1.39 110.408 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -75.07 -30.6 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 1.78 111.021 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -100.17 2.73 43.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.9 0.381 . . . . 1.78 110.857 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.56 36.47 93.19 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 115.541 -0.754 . . . . 0.37 113.858 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.69 109.23 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.212 0.53 . . . . 0.46 110.517 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -129.68 137.93 50.89 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.565 -0.743 . . . . 1.86 109.229 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.05 -171.53 43.58 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.654 -0.979 . . . . 0.43 110.654 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 143.64 52.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 2.79 110.731 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.552 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.6 m95 -113.12 141.36 47.0 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.41 111.204 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -135.91 159.1 42.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 0.63 109.826 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -143.9 131.12 20.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.798 0.332 . . . . 1.18 111.839 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -108.47 131.8 54.44 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.128 -1.434 . . . . 2.07 107.128 174.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -85.37 -24.76 27.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.226 -0.59 . . . . 2.28 111.724 -172.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.25 -30.29 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.869 0.366 . . . . 0.91 111.038 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 p -111.0 -6.9 14.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.085 0.772 . . . . 1.19 113.085 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 56.35 32.82 21.21 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.78 0.8 . . . . 2.08 110.001 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 78.5 m -102.19 114.46 28.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.766 -1.106 . . . . 0.51 112.486 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 54.5 m-85 -85.48 139.61 31.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.433 -0.951 . . . . 1.19 108.433 171.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 m -127.16 131.48 50.72 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.611 -0.435 . . . . 0.96 110.957 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -113.63 116.25 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.971 -0.751 . . . . 0.3 108.971 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m -102.13 119.6 39.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.691 -0.686 . . . . 0.52 111.159 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.57 110.4 17.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.738 -0.664 . . . . 2.56 109.346 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.64 142.93 8.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.276 -0.964 . . . . 2.32 111.749 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 p -122.45 135.52 54.69 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.244 -0.28 . . . . 4.41 110.244 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.86 -39.79 1.04 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.977 -0.63 . . . . 4.49 112.055 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.66 29.07 8.88 Favored Glycine 0 N--CA 1.454 -0.165 0 C-N-CA 121.123 -0.56 . . . . 6.24 112.354 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 71.42 158.39 0.19 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.583 0.753 . . . . 6.29 111.547 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -164.95 107.04 0.29 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.792 -0.718 . . . . 8.41 112.137 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.39 -9.29 4.12 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.008 -0.615 . . . . 10.44 112.28 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 64.25 -73.15 0.05 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.635 0.774 . . . . 12.25 111.898 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.67 -31.04 2.79 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.395 -0.907 . . . . 11.72 112.941 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -100.49 133.22 45.24 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.613 -0.345 . . . . 14.29 110.837 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.4 mm -135.21 -52.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.518 0.199 . . . . 14.51 110.649 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -100.54 19.35 17.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 16.8 111.074 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -98.46 126.88 37.82 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.4 -0.364 . . . . 17.64 110.964 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -78.64 -178.42 4.63 Favored 'Trans proline' 0 CA--C 1.517 -0.349 0 C-N-CA 122.562 2.175 . . . . 20.1 112.818 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.53 130.13 27.68 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.318 -0.855 . . . . 20.94 111.091 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.0 mm? -90.65 130.06 42.48 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 22.94 109.79 178.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.86 147.36 94.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.008 1.805 . . . . 23.54 111.294 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -45.07 127.27 8.52 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.013 2.475 . . . . 25.03 112.491 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.16 -26.33 24.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.024 -1.084 . . . . 26.59 113.437 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -90.53 140.93 29.27 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.488 0.644 . . . . 26.61 111.2 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -125.15 150.86 46.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.761 -0.459 . . . . 26.95 109.761 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -128.78 132.37 47.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.363 -0.606 . . . . 25.77 109.363 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -146.42 157.06 43.72 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 110.094 -0.335 . . . . 28.23 110.094 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.82 153.92 23.72 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.849 0.357 . . . . 29.77 111.241 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 88' ' ' VAL . 82.3 p -91.65 -169.35 2.27 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.146 -0.479 . . . . 31.75 110.096 175.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -62.03 -49.04 77.61 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.296 0.48 . . . . 34.32 112.296 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -83.65 9.12 12.35 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.35 -0.386 . . . . 35.43 111.656 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.66 58.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.483 -0.865 . . . . 31.3 113.22 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.446 ' HB ' ' OG1' ' A' ' 84' ' ' THR . 95.3 t -80.95 123.41 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.6 -0.518 . . . . 31.86 109.6 178.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -84.69 130.81 34.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 28.74 111.551 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -135.6 160.78 37.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.926 -0.768 . . . . 30.27 108.926 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.66 151.62 31.54 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.036 0.446 . . . . 28.69 111.483 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.62 130.89 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 29.13 111.128 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.6 118.83 30.35 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.567 -0.901 . . . . 29.7 108.567 175.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -76.81 -20.57 56.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 118.215 0.461 . . . . 29.9 111.382 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -78.22 -47.07 18.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.347 -0.388 . . . . 31.42 111.199 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.2 p -92.32 -11.97 33.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.296 -0.261 . . . . 33.14 110.296 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 62.93 36.17 12.87 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.588 0.709 . . . . 35.29 109.601 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -110.64 161.85 15.32 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.602 -1.181 . . . . 32.59 110.749 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.9 p -110.05 143.25 40.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.182 -1.044 . . . . 32.77 108.182 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -141.43 134.1 28.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 30.32 110.342 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.08 98.42 7.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 31.76 110.42 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -129.33 138.55 51.63 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.595 -0.729 . . . . 28.42 109.419 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -93.42 113.43 60.15 Favored Pre-proline 0 N--CA 1.441 -0.885 0 CA-C-O 121.092 0.472 . . . . 27.82 110.897 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.578 ' HD2' HH11 ' A' ' 105' ' ' ARG . 59.8 Cg_endo -78.16 -10.34 16.44 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.741 2.294 . . . . 26.03 111.536 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.578 HH11 ' HD2' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -111.24 108.96 56.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.092 -0.707 . . . . 27.8 109.092 178.283 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -52.29 119.36 5.7 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.948 1.765 . . . . 29.2 111.862 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.94 -29.21 7.67 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 120.823 -0.703 . . . . 30.61 112.693 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.0 p90 39.67 43.19 1.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.915 0.886 . . . . 30.1 112.908 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.373 -0.822 . . . . 32.01 111.901 178.771 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 112.466 -0.254 . . . . 4.75 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m 64.94 31.85 11.07 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.096 0.558 . . . . 2.45 111.933 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -78.13 144.62 36.29 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.332 -0.618 . . . . 2.5 109.332 176.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 ttm -131.01 162.57 29.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.804 -1.184 . . . . 2.06 107.804 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -95.41 108.49 20.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.721 0.296 . . . . 1.9 111.179 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -101.82 131.78 47.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.554 -0.906 . . . . 0.83 108.554 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.592 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 7.8 ptpp? -109.5 149.47 29.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 2.57 111.136 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.2 tp -125.93 136.71 53.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.343 -0.844 . . . . 0.33 110.183 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.8 mt -121.69 115.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.104 -0.702 . . . . 0.62 109.104 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -90.93 117.36 29.46 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.907 -0.775 . . . . 0.25 108.907 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -118.35 84.54 2.2 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.623 0.725 . . . . 1.96 109.332 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.7 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -140.37 153.8 23.71 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.514 -1.221 . . . . 0.91 110.544 175.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' H ' ' HG3' ' A' ' 13' ' ' LYS . 15.2 mttp -49.69 -40.17 39.28 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 123.831 0.852 . . . . 3.26 111.86 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -99.94 2.42 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 1.93 111.611 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.18 99.11 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 1.8 110.66 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.7 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 23.0 mtpp -128.79 109.25 11.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.838 -0.619 . . . . 2.49 109.374 177.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.45 -169.01 41.0 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 110.611 -0.996 . . . . 0.39 110.611 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -137.99 165.69 25.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.769 0.785 . . . . 1.69 111.789 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.6 t -156.03 175.22 14.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.864 -1.062 . . . . 0.58 108.969 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -139.72 159.57 41.86 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.798 0.295 . . . . 0.38 111.798 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 33' ' ' PHE . 4.6 t -152.01 156.5 40.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 0.38 110.181 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -106.8 118.77 37.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.777 -0.453 . . . . 2.26 109.777 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.33 158.66 43.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.334 -0.617 . . . . 0.38 109.334 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.77 7.28 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 1.09 111.398 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -154.03 155.86 36.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.009 -0.737 . . . . 2.13 109.009 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.42 -40.42 43.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.814 0.34 . . . . 0.59 110.747 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.72 -34.95 79.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.146 -0.479 . . . . 0.48 110.875 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -69.25 -29.25 67.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.86 -0.609 . . . . 0.46 110.827 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.35 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 0.28 109.38 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -61.53 -50.03 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.934 -1.03 . . . . 1.29 110.715 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 59.6 mmtt -61.77 -38.31 87.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.762 -0.654 . . . . 2.42 111.705 -175.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.1 t -74.14 -48.6 36.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.3 111.235 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -70.09 -23.88 63.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 1.11 112.094 -177.814 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 42.0 mtpt -73.23 -30.87 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.906 -0.496 . . . . 1.09 110.537 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 15.4 tm0? -76.16 -32.08 58.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.757 -1.201 . . . . 2.2 107.757 174.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.479 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 43.1 t80 -65.88 -50.14 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.197 -0.91 . . . . 1.24 110.59 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 -31.17 71.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.764 -0.653 . . . . 0.22 109.638 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 35' ' ' GLN . 5.9 t30 -59.46 -48.1 82.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.278 -0.874 . . . . 1.39 110.31 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -70.7 -10.53 59.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 1.78 111.543 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -99.69 -3.86 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.276 -0.42 . . . . 1.78 110.275 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.09 78.47 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.37 113.317 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.67 118.41 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 117.127 0.464 . . . . 0.46 110.992 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -136.13 123.54 22.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.52 -0.764 . . . . 1.86 109.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.24 -171.06 38.92 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.607 -0.806 . . . . 0.43 111.542 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -59.91 143.93 50.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.79 111.358 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.487 ' CZ2' ' HG3' ' A' ' 34' ' ' LYS . 3.9 m95 -115.89 112.61 22.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.41 110.951 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 p -106.45 153.84 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.836 -0.62 . . . . 0.63 110.578 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 54' ' ' THR . 29.1 t80 -150.46 151.5 32.82 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.269 0.355 . . . . 1.18 110.624 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -140.34 128.3 22.05 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.149 -1.056 . . . . 2.07 108.149 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -77.24 -9.55 58.87 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.128 0.418 . . . . 2.28 112.128 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.62 -38.06 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.543 -0.463 . . . . 0.91 111.852 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.3 p -106.92 -8.04 16.81 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.406 0.521 . . . . 1.19 112.406 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 59.55 36.36 22.81 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.186 0.517 . . . . 2.08 109.862 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.592 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.2 m -101.97 129.23 48.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.766 -0.652 . . . . 0.51 112.174 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -110.29 135.48 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.908 -0.775 . . . . 1.19 108.908 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.7 m -131.29 133.6 45.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.86 -0.336 . . . . 0.96 111.193 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.11 118.88 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.619 -0.882 . . . . 0.3 108.619 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -115.16 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.818 -0.628 . . . . 0.52 111.656 -174.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' HG3' ' A' ' 13' ' ' LYS . 42.9 mt-10 -89.08 154.42 20.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 2.56 110.808 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.67 110.12 3.84 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.143 -1.183 . . . . 2.32 110.143 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 t -86.25 -76.9 0.33 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 121.085 -0.246 . . . . 4.41 111.616 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.83 74.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.48 -0.867 . . . . 4.49 112.636 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.35 -15.9 1.77 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.366 -0.921 . . . . 6.24 112.853 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.95 150.56 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.595 0.236 . . . . 6.29 111.321 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 127.41 108.56 1.51 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.891 -0.671 . . . . 8.41 112.524 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.75 -12.55 66.37 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.066 -0.588 . . . . 10.44 111.933 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 72.31 2.5 4.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.721 0.808 . . . . 12.25 112.456 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.9 -39.81 2.44 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 119.705 -0.497 . . . . 11.72 114.321 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 87.6 mmm 68.96 97.43 0.06 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.169 0.587 . . . . 14.29 109.726 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.8 mt -132.04 -16.45 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.991 0.424 . . . . 14.51 111.645 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -96.89 21.23 9.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.412 0.625 . . . . 16.8 109.866 -176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -98.6 142.49 24.68 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.01 -0.995 . . . . 17.64 110.084 -174.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -78.82 -179.73 5.73 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.57 2.18 . . . . 20.1 112.371 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.59 -169.12 0.17 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.454 -0.794 . . . . 20.94 111.116 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.94 130.34 70.37 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.775 -0.648 . . . . 22.94 110.288 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.5 ' CB ' ' HD2' ' A' ' 77' ' ' PRO . 8.3 Cg_exo -67.43 173.63 8.47 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.042 1.828 . . . . 23.54 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.5 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 59.7 Cg_endo -61.97 129.71 28.34 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.587 2.191 . . . . 25.03 111.738 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.19 34.97 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 120.671 -0.776 . . . . 26.59 113.965 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -86.07 135.71 33.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 117.768 0.784 . . . . 26.61 110.154 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -123.41 132.72 54.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.789 0.328 . . . . 26.95 111.274 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.3 ttt -105.33 119.01 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.907 -1.146 . . . . 25.77 107.907 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -140.57 157.79 44.95 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.502 -0.479 . . . . 28.23 110.31 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -108.72 149.49 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.21 -0.293 . . . . 29.77 110.21 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -81.1 -178.42 6.89 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.319 -0.993 . . . . 31.75 108.319 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 p -78.67 8.1 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.095 0.474 . . . . 34.32 111.316 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.43 -2.39 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.528 -0.545 . . . . 35.43 109.528 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.01 21.67 45.15 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.765 -0.731 . . . . 31.3 113.089 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.6 t -107.45 127.22 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.855 0.359 . . . . 31.86 111.04 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.605 ' NH1' ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.79 140.76 53.39 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 28.74 112.046 179.634 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -150.8 159.35 44.59 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.813 -0.81 . . . . 30.27 108.813 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.605 ' HE1' ' NH1' ' A' ' 89' ' ' ARG . 98.0 m-85 -119.24 149.77 41.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.225 0.536 . . . . 28.69 110.728 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.9 t -108.98 116.53 52.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.728 -0.669 . . . . 29.13 109.994 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.547 ' HB3' HG22 ' A' ' 98' ' ' THR . 8.3 t70 -83.42 133.67 34.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.109 -1.071 . . . . 29.7 108.109 174.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -89.86 -20.56 23.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.83 0.678 . . . . 29.9 112.83 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -82.29 -35.56 27.88 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.185 -0.606 . . . . 31.42 111.794 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 p -102.07 -12.61 17.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.096 0.474 . . . . 33.14 109.797 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 57.38 75.42 0.37 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 114.8 -1.091 . . . . 35.29 110.518 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.547 HG22 ' HB3' ' A' ' 93' ' ' ASP . 4.8 t -143.17 168.76 19.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.643 -1.162 . . . . 32.59 110.726 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -114.34 101.58 9.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.742 -1.207 . . . . 32.77 107.742 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 t -119.34 152.74 36.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.315 0.579 . . . . 30.32 111.895 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -106.02 98.8 8.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.529 -0.759 . . . . 31.76 109.172 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -114.24 131.84 56.34 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.121 0.486 . . . . 28.42 110.848 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -99.41 130.34 27.19 Favored Pre-proline 0 N--CA 1.427 -1.599 0 CA-C-N 115.514 -0.766 . . . . 27.82 110.469 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.3 -32.55 72.67 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.643 2.229 . . . . 26.03 111.605 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -110.05 107.66 58.85 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.932 -0.766 . . . . 27.8 108.932 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.69 119.02 3.8 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.563 2.176 . . . . 29.2 113.264 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.11 -34.27 3.45 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.725 -0.67 . . . . 30.61 112.629 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.4 t80 51.73 43.01 30.26 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 117.049 0.424 . . . . 30.1 110.348 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.094 -0.955 . . . . 32.01 110.284 -178.804 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.958 -0.457 . . . . 4.75 111.958 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -111.7 128.12 55.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.683 0.278 . . . . 2.45 110.688 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -89.81 140.59 29.44 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.874 -0.787 . . . . 2.5 108.874 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.4 mmm -100.04 135.46 41.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.399 -0.593 . . . . 2.06 109.399 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -91.06 120.16 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.781 -0.367 . . . . 1.9 110.774 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.35 142.09 47.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.732 -0.84 . . . . 0.83 108.732 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.1 ptmt -112.67 147.77 36.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.847 0.356 . . . . 2.57 110.483 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -129.64 143.21 50.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.099 -0.501 . . . . 0.33 110.081 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.453 HG22 ' OD1' ' A' ' 11' ' ' ASN . 81.2 mt -125.53 124.08 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.719 -0.845 . . . . 0.62 108.719 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.649 ' O ' ' HD2' ' A' ' 16' ' ' LYS . 1.3 mm? -94.3 93.24 7.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.209 -0.663 . . . . 0.25 109.209 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.608 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -88.47 86.75 7.09 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.432 -0.951 . . . . 1.96 108.432 178.244 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.604 ' H ' ' HD2' ' A' ' 16' ' ' LYS . . . -153.15 135.57 4.93 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.297 -1.121 . . . . 0.91 110.297 177.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -57.88 -19.93 33.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.093 0.447 . . . . 3.26 111.541 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -30.63 47.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.319 -0.4 . . . . 1.93 110.805 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 99.11 1.34 Allowed 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.163 -0.31 . . . . 1.8 110.163 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HD2' ' O ' ' A' ' 10' ' ' LEU . 9.0 mmmm -102.88 120.23 40.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.112 0.482 . . . . 2.49 109.94 175.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.76 171.79 42.39 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.306 -0.861 . . . . 0.39 111.116 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -131.83 161.25 33.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.219 -0.289 . . . . 1.69 110.219 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.6 t -159.97 173.84 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.241 -0.436 . . . . 0.58 110.354 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.6 p -133.84 161.97 33.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.324 -0.398 . . . . 0.38 110.125 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.34 156.49 35.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.15 -0.315 . . . . 0.38 110.15 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.71 118.79 33.94 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.419 . . . . 2.26 109.867 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.8 153.63 50.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.18 -0.674 . . . . 0.38 109.18 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.22 8.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 1.09 111.262 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.482 ' HB3' ' OG1' ' A' ' 28' ' ' THR . 19.5 t70 -157.1 158.66 36.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.321 -0.622 . . . . 2.13 109.321 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.33 -50.24 19.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.464 -0.335 . . . . 0.59 111.389 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.24 -26.82 67.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.212 0.53 . . . . 0.48 110.025 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 16.4 m -72.3 -28.47 63.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.297 -0.865 . . . . 0.46 110.693 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.14 65.29 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.272 -0.64 . . . . 0.28 109.272 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 8.4 tt0 -59.26 -59.16 5.9 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.072 -0.967 . . . . 1.29 109.57 177.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.81 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 10.8 mmpt? -49.0 -41.78 35.66 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 2.42 112.515 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 28' ' ' THR . 91.6 t -73.11 -52.0 23.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.818 0.342 . . . . 0.3 111.227 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.481 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.1 m-85 -66.78 -24.08 66.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.866 0.321 . . . . 1.11 111.866 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.618 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.4 mtpt -69.87 -39.68 76.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.865 -0.42 . . . . 1.09 109.865 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -66.24 -31.51 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.814 -0.81 . . . . 2.2 108.814 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.481 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 26.6 t80 -70.05 -50.56 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.89 -1.05 . . . . 1.24 110.569 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.37 -37.08 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.95 -0.568 . . . . 0.22 110.431 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.34 -38.03 87.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.789 . . . . 1.39 110.222 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.04 -26.6 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 1.78 111.151 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -89.28 -17.45 28.94 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.228 -0.442 . . . . 1.78 110.664 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.93 10.18 61.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.841 -0.695 . . . . 0.37 112.603 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -95.27 116.42 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.867 0.365 . . . . 0.46 110.576 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -138.52 136.2 35.86 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.957 -0.757 . . . . 1.86 108.957 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.16 -170.09 41.63 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.95 -0.86 . . . . 0.43 110.95 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.592 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 11.2 pt-20 -54.94 141.18 34.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 2.79 110.681 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.618 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.7 m95 -112.56 122.31 47.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.936 0.398 . . . . 0.41 109.987 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 p -123.9 158.07 32.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.616 -0.72 . . . . 0.63 110.041 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -149.98 150.55 31.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 1.18 110.657 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -130.6 135.71 48.15 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.847 -0.797 . . . . 2.07 108.847 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -77.3 -29.66 53.8 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.763 0.316 . . . . 2.28 111.41 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.58 63.91 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.103 0.409 . . . . 0.91 112.103 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.6 p -104.37 -11.61 17.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.312 0.856 . . . . 1.19 113.312 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.92 31.24 20.31 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.424 0.631 . . . . 2.08 109.848 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.447 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 7.9 m -99.48 122.65 42.87 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.563 -0.744 . . . . 0.51 111.987 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 42.4 m-85 -93.2 134.0 35.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.588 -1.264 . . . . 1.19 107.588 171.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.0 m -132.19 131.81 42.54 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.365 -0.534 . . . . 0.96 111.655 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.54 123.75 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.217 -1.031 . . . . 0.3 108.217 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.592 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 5.5 m -118.13 126.66 52.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.654 0.613 . . . . 0.52 112.654 -173.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -76.45 98.21 4.52 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.117 -1.438 . . . . 2.56 107.117 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.26 112.05 3.91 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.328 -0.939 . . . . 2.32 113.211 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 m -65.67 98.3 0.37 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 4.41 110.294 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.0 64.3 0.28 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.535 -0.757 . . . . 4.49 111.607 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.92 29.67 4.54 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.959 -0.639 . . . . 6.24 112.151 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 61.89 20.08 11.2 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.112 0.565 . . . . 6.29 112.121 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.85 158.71 31.02 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.723 -0.751 . . . . 8.41 112.589 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.97 35.39 4.01 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.491 -0.385 . . . . 10.44 112.231 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -59.08 102.65 0.13 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 12.25 111.553 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.13 148.82 4.86 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.29 -0.724 . . . . 11.72 111.29 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 66.0 mtt 54.0 47.67 22.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.275 0.537 . . . . 14.29 110.96 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mt -99.9 71.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.259 -0.645 . . . . 14.51 109.259 -176.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -129.87 16.48 5.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.204 -0.907 . . . . 16.8 110.314 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -102.79 133.43 20.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.698 -0.683 . . . . 17.64 109.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.43 169.32 21.99 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.748 2.299 . . . . 20.1 112.578 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -172.76 169.98 4.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.159 -0.928 . . . . 20.94 109.497 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.92 149.11 79.86 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.944 -0.391 . . . . 22.94 109.944 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.601 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.4 Cg_exo -72.53 149.07 49.08 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.073 1.849 . . . . 23.54 111.026 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -47.12 124.81 9.42 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.881 2.387 . . . . 25.03 112.298 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.19 -30.56 9.63 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.703 -0.681 . . . . 26.59 112.631 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.601 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -93.52 144.72 25.1 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.451 -0.574 . . . . 26.61 109.451 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -142.61 158.65 43.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.498 -0.481 . . . . 26.95 110.015 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.703 -0.68 . . . . 25.77 109.572 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -147.46 156.18 42.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.809 -0.441 . . . . 28.23 109.809 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -102.91 146.25 28.6 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.962 -0.385 . . . . 29.77 109.962 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.7 p -77.69 179.42 6.62 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.95 -0.759 . . . . 31.75 108.95 175.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 p -76.05 11.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 34.32 111.611 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -121.54 -2.52 9.42 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.401 -0.818 . . . . 35.43 109.139 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.69 21.87 52.1 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.345 -0.843 . . . . 31.3 113.236 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 68.8 t -96.79 142.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 31.86 110.999 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -86.29 124.36 32.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 28.74 111.994 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -134.1 154.48 51.16 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.807 -0.357 . . . . 30.27 110.102 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -108.07 141.7 39.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.079 0.466 . . . . 28.69 111.012 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.47 120.64 65.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.837 -0.62 . . . . 29.13 110.983 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.78 115.2 27.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.962 -1.125 . . . . 29.7 107.962 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -79.83 -5.58 55.71 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.877 0.695 . . . . 29.9 112.877 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.454 ' OD1' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -92.32 -34.59 14.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.557 -0.457 . . . . 31.42 111.296 -178.265 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.454 HG23 ' OD1' ' A' ' 95' ' ' ASN . 39.9 p -108.18 -7.97 15.88 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 122.1 -0.375 . . . . 33.14 110.922 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 97' ' ' ARG . 17.0 mtp180 62.61 30.08 16.97 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.554 1.168 . . . . 35.29 111.187 177.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.3 p -104.35 156.11 18.2 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.406 -1.724 . . . . 32.59 110.776 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 p -112.57 104.21 12.3 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.235 -0.283 . . . . 32.77 110.235 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.4 t -96.02 146.86 24.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.024 0.44 . . . . 30.32 110.193 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -115.45 107.12 14.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.808 -0.441 . . . . 31.76 109.808 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -133.0 99.94 4.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.827 0.346 . . . . 28.42 110.577 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.81 135.2 22.93 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.825 -0.806 . . . . 27.82 108.825 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.473 ' HG2' ' HD2' ' A' ' 105' ' ' ARG . 20.2 Cg_endo -60.88 -19.1 60.63 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 122.936 2.424 . . . . 26.03 113.645 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.574 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 2.4 mpt_? -107.18 112.87 62.78 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.402 -0.592 . . . . 27.8 109.402 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.09 129.25 16.93 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 121.575 1.517 . . . . 29.2 112.049 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.16 -22.76 7.86 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-O 119.205 -0.775 . . . . 30.61 113.333 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.0 p90 39.46 41.13 0.67 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.468 0.707 . . . . 30.1 112.065 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.202 -0.904 . . . . 32.01 108.922 -179.823 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.707 -0.557 . . . . 4.75 111.707 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -93.28 -65.23 1.01 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.578 0.228 . . . . 2.45 111.2 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.1 144.67 49.13 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.451 -0.341 . . . . 2.5 111.057 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.3 mtp -114.93 137.89 51.46 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.578 -0.527 . . . . 2.06 109.578 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 31.1 tt0 -74.95 115.41 14.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.376 -0.374 . . . . 1.9 111.662 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -111.49 143.3 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.572 -0.899 . . . . 0.83 108.572 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HB2' HG23 ' A' ' 54' ' ' THR . 29.3 mttt -116.52 162.91 16.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.392 -0.523 . . . . 2.57 111.718 -177.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD22 ' CG ' ' A' ' 33' ' ' PHE . 23.5 tp -145.91 125.6 13.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.185 -0.916 . . . . 0.33 111.237 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mp -113.24 119.69 61.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 108.85 -0.796 . . . . 0.62 108.85 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.45 109.67 21.06 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.583 -0.525 . . . . 0.25 109.583 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -103.58 88.42 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 1.96 109.78 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.614 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -136.6 126.84 3.9 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.844 -0.902 . . . . 0.91 110.844 178.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -48.67 -30.26 5.29 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.629 0.974 . . . . 3.26 113.629 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -95.05 -42.06 8.81 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.78 -0.368 . . . . 1.93 111.473 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -129.99 109.6 11.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.981 -0.377 . . . . 1.8 109.981 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -113.8 155.89 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.352 -0.981 . . . . 2.49 108.352 176.332 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.29 -173.03 45.89 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.596 -0.812 . . . . 0.39 111.848 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -164.94 150.45 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.8 0.333 . . . . 1.69 110.541 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 t -163.41 178.78 7.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.077 -0.51 . . . . 0.58 110.921 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.4 p -138.35 159.46 42.01 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.4 -0.364 . . . . 0.38 111.164 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -149.54 156.78 42.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.901 -0.407 . . . . 0.38 109.901 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -105.42 109.17 21.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.111 -0.495 . . . . 2.26 110.137 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.66 160.25 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.708 -0.479 . . . . 0.38 109.708 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 m -109.12 7.85 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 1.09 111.887 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -143.78 144.45 31.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.203 -0.199 . . . . 2.13 110.801 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.37 90.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.59 110.287 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 31' ' ' LYS . . . -61.61 -40.5 95.06 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.868 -0.605 . . . . 0.48 110.831 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 m -65.78 -34.16 77.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.507 -0.315 . . . . 0.46 111.154 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.31 78.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.059 -0.719 . . . . 0.28 109.059 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.9 tt0 -65.93 -57.27 8.23 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.795 -1.093 . . . . 1.29 109.669 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 27.9 mtpp -50.35 -46.69 55.92 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.251 0.834 . . . . 2.42 113.251 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.9 t -72.2 -46.65 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.3 110.947 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.447 ' CG ' HD22 ' A' ' 8' ' ' LEU . 2.2 m-85 -69.86 -24.22 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.413 -0.358 . . . . 1.11 111.802 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 33.4 mtpt -67.31 -46.27 74.02 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 121.021 -0.272 . . . . 1.09 110.439 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.2 tm0? -64.58 -33.18 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.228 -1.027 . . . . 2.2 108.228 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -65.0 -53.99 37.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.104 -0.953 . . . . 1.24 110.62 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.32 87.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.681 . . . . 0.22 110.918 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -62.65 -34.38 76.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 1.39 110.231 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 1.78 110.628 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -76.3 -12.54 60.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.023 0.44 . . . . 1.78 110.471 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.18 10.64 57.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.05 -0.595 . . . . 0.37 112.716 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.15 100.55 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 121.762 0.791 . . . . 0.46 110.857 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -129.18 101.49 6.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.781 -1.099 . . . . 1.86 108.875 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -171.27 14.5 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.61 -0.805 . . . . 0.43 111.417 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 146.72 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 2.79 110.884 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.9 m95 -110.3 131.29 55.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.41 111.573 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 138.85 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.656 -0.868 . . . . 0.63 108.656 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.421 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 36.0 t80 -136.0 153.49 51.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.103 0.478 . . . . 1.18 111.343 -176.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -132.24 130.04 40.42 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.879 -1.156 . . . . 2.07 107.879 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.44 -13.47 46.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.289 -0.564 . . . . 2.28 111.011 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.55 -33.1 62.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 0.91 111.348 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -116.47 -11.14 11.17 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.82 1.045 . . . . 1.19 113.82 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HA ' ' HE2' ' A' ' 48' ' ' TYR . 13.9 mptt 66.85 23.09 10.07 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.319 0.581 . . . . 2.08 111.221 -177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 7' ' ' LYS . 3.4 m -88.6 122.63 32.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.715 -0.675 . . . . 0.51 111.251 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 45.2 m-85 -102.53 137.31 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.745 -0.835 . . . . 1.19 108.745 174.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -128.26 127.63 43.18 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.478 -0.328 . . . . 0.96 110.599 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -109.13 117.66 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.81 -0.811 . . . . 0.3 108.81 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 m -105.44 124.42 49.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.52 111.562 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.45 120.21 22.85 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.029 -1.1 . . . . 2.56 108.029 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.08 108.75 2.09 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 119.831 -1.176 . . . . 2.32 112.439 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.2 t -90.12 -10.14 45.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.723 0.297 . . . . 4.41 110.432 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.45 -174.19 20.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.8 -0.714 . . . . 4.49 111.848 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.33 -39.99 3.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.819 -0.705 . . . . 6.24 112.086 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.61 -47.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.236 0.541 . . . . 6.29 110.231 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.0 -161.67 16.43 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.611 -0.722 . . . . 8.41 112.511 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.59 32.17 5.43 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.286 -0.483 . . . . 10.44 113.32 -177.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -80.4 103.34 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.124 -0.695 . . . . 12.25 109.124 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.75 143.97 9.84 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.046 -1.073 . . . . 11.72 113.22 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.591 ' HG3' HG13 ' A' ' 70' ' ' ILE . 25.8 ptm -127.66 7.56 6.28 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.196 0.522 . . . . 14.29 110.273 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.591 HG13 ' HG3' ' A' ' 69' ' ' MET . 78.3 mt -141.26 101.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.252 -0.886 . . . . 14.51 109.328 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -114.39 8.42 16.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.349 0.595 . . . . 16.8 110.754 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -68.76 136.52 90.15 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.034 -0.985 . . . . 17.64 110.785 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -89.21 161.76 5.7 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 123.074 2.516 . . . . 20.1 111.688 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.66 176.85 5.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.867 0.365 . . . . 20.94 110.899 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.93 136.52 92.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.508 . . . . 22.94 110.532 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -70.64 147.44 57.2 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.856 1.704 . . . . 23.54 110.789 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.45 127.0 15.03 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.806 2.337 . . . . 25.03 111.849 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.62 23.79 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.329 -0.938 . . . . 26.59 113.198 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -89.46 137.53 32.25 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.472 -0.566 . . . . 26.61 109.472 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -123.3 143.42 50.09 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.216 0.531 . . . . 26.95 110.99 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 55.1 ttp -113.49 112.47 23.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.124 -0.944 . . . . 25.77 108.8 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -136.99 155.31 49.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.243 -0.583 . . . . 28.23 110.141 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -122.17 152.77 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.09 -0.337 . . . . 29.77 110.09 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.7 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.371 -0.974 . . . . 31.75 108.371 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 m -79.79 15.99 1.25 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.071 0.462 . . . . 34.32 111.95 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -122.58 0.01 9.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.185 -0.461 . . . . 35.43 110.543 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.74 11.92 59.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.512 -0.851 . . . . 31.3 112.661 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.5 t -89.14 126.51 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.687 -0.486 . . . . 31.86 109.687 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -94.74 122.24 37.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.032 -0.531 . . . . 28.74 111.221 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -126.67 151.32 48.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.609 -0.515 . . . . 30.27 109.609 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -118.07 145.8 44.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.823 -0.436 . . . . 28.69 109.823 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -113.65 112.22 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.919 -0.582 . . . . 29.13 111.251 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.46 90.86 5.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.641 -0.874 . . . . 29.7 108.641 175.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -75.32 -4.09 37.2 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.801 -0.562 . . . . 29.9 110.999 -177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -73.69 -48.82 29.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.027 0.442 . . . . 31.42 110.48 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 p -104.37 -7.33 20.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 33.14 111.012 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 65.42 77.45 0.3 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.937 0.875 . . . . 35.29 111.348 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.8 t -158.53 171.65 19.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.691 -1.14 . . . . 32.59 109.543 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -123.06 143.43 49.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.88 -0.415 . . . . 32.77 109.88 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.4 t -147.29 156.7 43.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.927 -0.309 . . . . 30.32 110.429 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -114.59 96.76 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.34 -0.615 . . . . 31.76 109.34 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -144.15 122.57 12.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.45 -0.341 . . . . 28.42 110.804 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -108.53 129.3 24.18 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.016 -0.735 . . . . 27.82 109.016 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.22 -4.87 15.25 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.708 2.272 . . . . 26.03 113.676 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -108.79 107.47 60.08 Favored Pre-proline 0 N--CA 1.466 0.34 0 O-C-N 121.94 -0.475 . . . . 27.8 111.103 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -58.83 120.41 8.26 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.24 1.96 . . . . 29.2 111.753 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.79 -36.39 3.86 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 119.089 -0.839 . . . . 30.61 113.507 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.8 p90 37.21 38.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.013 0.746 . . . . 30.1 113.013 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.297 -0.859 . . . . 32.01 109.52 -179.524 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.89 -0.484 . . . . 4.75 111.89 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -75.55 176.14 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.6 0.238 . . . . 2.45 110.396 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -102.31 170.45 8.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.824 -0.436 . . . . 2.5 109.824 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.6 tpt -122.63 149.91 43.37 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.385 -1.339 . . . . 2.06 107.385 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -86.48 102.49 14.13 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.725 -0.39 . . . . 1.9 110.35 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 23' ' ' ALA . 57.0 m-85 -90.52 141.75 28.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.316 -0.624 . . . . 0.83 109.316 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.609 ' HD3' ' N ' ' A' ' 8' ' ' LEU . 3.9 tmtm? -120.06 146.86 45.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.326 -0.852 . . . . 2.57 109.69 -173.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.609 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 12.6 tp -141.69 142.64 33.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.33 110.754 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -125.27 124.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 108.763 -0.828 . . . . 0.62 108.763 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.12 99.27 12.11 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 120.169 -0.612 . . . . 0.25 109.449 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 3.6 m-80 -87.25 86.76 7.3 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.069 -1.086 . . . . 1.96 108.069 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.63 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -130.77 122.15 3.46 Favored Glycine 0 C--O 1.221 -0.671 0 CA-C-N 115.609 -0.723 . . . . 0.91 111.311 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -45.54 -40.83 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.76 1.022 . . . . 3.26 113.76 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.3 m -83.72 -42.29 16.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.72 -0.392 . . . . 1.93 111.56 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.6 tp -133.74 115.37 14.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.627 0.251 . . . . 1.8 110.741 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -115.73 148.28 39.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.235 -0.654 . . . . 2.49 109.235 178.113 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.9 -172.66 44.92 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.823 -0.703 . . . . 0.39 111.518 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -158.66 154.53 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.939 0.37 . . . . 1.69 111.252 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -152.9 -178.71 7.08 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.765 -0.652 . . . . 0.58 110.388 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.3 p -140.79 164.2 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.127 -0.488 . . . . 0.38 110.325 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -156.5 156.56 33.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.715 0.293 . . . . 0.38 110.515 176.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -94.87 99.83 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 2.26 109.935 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . . . -124.95 158.12 34.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.861 -0.422 . . . . 0.38 109.861 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.9 m -109.22 7.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.397 0.517 . . . . 1.09 112.397 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -159.03 160.35 35.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.835 -0.346 . . . . 2.13 111.296 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.43 -45.72 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.59 111.51 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.48 110.633 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -65.41 -34.37 78.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.46 110.65 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.5 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.094 0.474 . . . . 0.28 109.89 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -62.44 -58.58 7.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.355 -0.839 . . . . 1.29 109.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -48.64 -47.21 40.52 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.602 -0.726 . . . . 2.42 112.785 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.37 -48.62 66.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.732 0.301 . . . . 0.3 111.603 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.587 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 4.4 m-85 -70.67 -20.71 62.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.413 -0.358 . . . . 1.11 111.892 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 30.8 mtpt -70.92 -42.61 69.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.947 -0.39 . . . . 1.09 109.947 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -43.3 95.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.837 -1.171 . . . . 2.2 107.837 175.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 27.1 t80 -57.14 -50.74 71.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.339 -1.755 . . . . 1.24 111.414 178.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.82 -34.14 71.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.22 110.794 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.83 -40.26 94.67 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.875 -0.602 . . . . 1.39 110.404 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.92 -26.66 66.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 1.78 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -91.51 -4.5 55.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.065 -0.516 . . . . 1.78 110.504 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.5 78.04 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.432 -0.804 . . . . 0.37 113.193 177.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -91.02 123.53 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 117.297 0.549 . . . . 0.46 110.634 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -139.64 132.96 29.97 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.532 -0.914 . . . . 1.86 108.532 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.77 -171.55 43.74 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.36 -0.924 . . . . 0.43 111.595 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.71 150.97 42.44 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.66 0.267 . . . . 2.79 110.468 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.7 m95 -114.44 138.72 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.41 111.419 -177.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.31 163.95 28.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.297 -0.865 . . . . 0.63 110.233 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -154.29 148.0 25.36 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 110.131 -0.322 . . . . 1.18 110.131 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.69 153.31 37.09 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.826 -1.175 . . . . 2.07 107.826 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -90.34 -17.43 27.33 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.714 0.635 . . . . 2.28 112.714 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.55 -49.65 7.4 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.744 -0.597 . . . . 0.91 112.153 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -104.8 -5.25 21.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 112.633 0.605 . . . . 1.19 112.633 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.95 36.4 18.74 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.496 0.665 . . . . 2.08 109.927 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.459 ' HA ' ' HB3' ' A' ' 7' ' ' LYS . 46.3 m -83.81 108.83 17.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.19 -0.913 . . . . 0.51 111.199 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 24.2 m-85 -83.62 126.97 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.25 -0.648 . . . . 1.19 109.25 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.76 121.68 41.43 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.35 -0.386 . . . . 0.96 111.576 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -108.55 110.52 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.854 -1.165 . . . . 0.3 107.854 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.416 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 9.9 m -103.86 113.64 27.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.617 -0.72 . . . . 0.52 112.103 -173.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.89 104.83 4.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.761 -1.2 . . . . 2.56 107.761 176.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.07 107.43 0.64 Allowed Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 119.033 -1.556 . . . . 2.32 112.784 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -127.51 -53.16 1.36 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.673 -1.232 . . . . 4.41 107.673 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.29 -174.46 37.89 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.39 -0.823 . . . . 4.49 113.579 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.52 23.49 4.51 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.003 -0.618 . . . . 6.24 111.817 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.63 142.44 27.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.71 0.29 . . . . 6.29 110.508 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.19 34.57 32.62 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.768 -0.73 . . . . 8.41 112.467 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.11 -23.66 56.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.829 -0.701 . . . . 10.44 111.865 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 61.97 86.39 0.11 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.408 0.623 . . . . 12.25 110.428 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.06 165.83 16.82 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.467 -0.873 . . . . 11.72 112.851 -177.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.449 ' HB3' ' OE1' ' A' ' 72' ' ' GLU . 52.5 mtt -101.59 114.39 28.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.309 -0.626 . . . . 14.29 109.309 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.1 mt -121.4 -34.76 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 121.097 0.475 . . . . 14.51 111.013 -177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -79.98 24.03 0.43 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.849 -0.614 . . . . 16.8 111.154 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' OE1' ' HB3' ' A' ' 69' ' ' MET . 15.7 mm-40 -56.05 139.92 70.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.922 -0.581 . . . . 17.64 111.952 -178.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.64 172.52 16.06 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.656 2.237 . . . . 20.1 112.22 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.36 158.25 6.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.93 -0.577 . . . . 20.94 111.081 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.23 150.74 45.51 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.637 -0.71 . . . . 22.94 109.21 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 45.5 Cg_exo -57.61 144.0 93.57 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 120.815 1.01 . . . . 23.54 110.617 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.14 124.37 10.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.989 2.459 . . . . 25.03 112.738 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.27 -24.56 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.776 -0.726 . . . . 26.59 113.654 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.4 ' CD1' ' HB2' ' A' ' 76' ' ' PRO . 74.4 m95 -86.96 128.83 35.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 117.505 0.653 . . . . 26.61 110.618 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.64 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 18.7 mm-40 -109.3 139.64 43.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.844 0.354 . . . . 26.95 110.247 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.463 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 12.0 tmm? -114.32 130.61 56.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.374 -0.973 . . . . 25.77 108.374 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 81' ' ' MET . 23.6 mttp -148.97 156.49 42.35 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 110.342 -0.244 . . . . 28.23 110.342 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.45 157.76 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.639 0.257 . . . . 29.77 110.521 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.6 p -90.97 168.63 11.52 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.843 -1.169 . . . . 31.75 107.843 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 p -76.33 13.97 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.399 0.518 . . . . 34.32 112.399 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -120.78 -2.91 9.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.185 0.516 . . . . 35.43 109.629 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.55 7.29 59.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.631 -0.795 . . . . 31.3 113.199 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.6 t -87.44 145.88 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.548 -0.538 . . . . 31.86 109.548 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -104.36 136.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.48 0.181 . . . . 28.74 111.196 -175.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -143.78 158.91 43.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.236 -0.653 . . . . 30.27 109.236 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -114.57 153.71 29.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.314 0.578 . . . . 28.69 111.524 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.64 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 58.7 t -126.57 121.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.504 -0.771 . . . . 29.13 110.612 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 104.96 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.526 -0.916 . . . . 29.7 108.526 177.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -71.17 1.21 6.25 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.999 -0.438 . . . . 29.9 112.054 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -90.3 -50.06 6.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.687 -0.233 . . . . 31.42 110.889 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.3 p -100.82 -8.01 23.05 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.126 -0.23 . . . . 33.14 110.962 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 67.94 31.79 5.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.802 0.81 . . . . 35.29 110.376 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 p -99.31 156.43 17.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.463 -1.244 . . . . 32.59 110.941 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 p -107.28 104.63 14.28 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.774 -0.454 . . . . 32.77 109.774 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.2 t -109.75 157.75 18.83 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.499 0.666 . . . . 30.32 111.185 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.65 99.9 8.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.639 -0.71 . . . . 31.76 110.028 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -136.39 100.88 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.293 -0.632 . . . . 28.42 109.293 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' OD1' ' HB2' ' A' ' 105' ' ' ARG . 19.8 t70 -98.07 146.57 31.72 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 116.088 -0.506 . . . . 27.82 110.533 -177.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.485 ' O ' ' HD3' ' A' ' 106' ' ' PRO . 25.4 Cg_exo -53.55 -25.67 33.71 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.659 2.24 . . . . 26.03 112.097 177.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.421 ' HB2' ' OD1' ' A' ' 103' ' ' ASP . 10.1 mpt_? -90.2 107.79 22.03 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 109.672 -0.492 . . . . 27.8 109.672 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 104' ' ' PRO . 6.0 Cg_exo -78.08 129.9 9.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.363 1.375 . . . . 29.2 112.197 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 70.88 15.52 73.97 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 115.688 1.035 . . . . 30.61 115.688 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.408 ' HD1' ' O ' ' A' ' 105' ' ' ARG . 49.3 p90 -60.26 -31.69 70.45 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.063 1.431 . . . . 30.1 110.411 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.248 1.017 0 O-C-N 124.042 0.839 . . . . 32.01 111.092 178.239 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.104 -0.398 . . . . 4.75 112.104 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -101.83 -178.81 3.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.837 0.351 . . . . 2.45 110.122 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -111.85 163.85 13.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.82 -0.437 . . . . 2.5 109.82 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.2 mtp -108.81 135.84 49.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.749 -0.834 . . . . 2.06 108.749 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -92.16 116.1 28.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.972 -0.381 . . . . 1.9 109.972 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -103.71 159.42 15.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.569 -0.53 . . . . 0.83 109.569 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.11 135.02 35.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.186 -0.461 . . . . 2.57 110.127 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.1 tp -120.02 142.14 49.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 0.33 110.732 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.0 mt -120.5 120.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.704 -0.851 . . . . 0.62 108.704 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD21 ' HE1' ' A' ' 36' ' ' TYR . 1.2 mm? -94.02 100.78 12.84 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.417 -0.513 . . . . 0.25 109.778 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.12 87.14 4.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.483 -0.932 . . . . 1.96 108.483 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.688 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -149.03 129.78 3.17 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.231 -1.148 . . . . 0.91 110.231 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -50.76 -32.93 21.25 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.362 0.505 . . . . 3.26 112.362 -175.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -83.95 -19.63 34.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.142 0.423 . . . . 1.93 112.142 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -156.99 104.68 2.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.419 -0.586 . . . . 1.8 109.419 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.688 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 9.7 mtmt -119.39 124.65 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.893 -0.594 . . . . 2.49 110.627 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.23 -171.49 44.3 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.734 -0.667 . . . . 0.39 111.793 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -136.05 163.62 29.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.255 -0.276 . . . . 1.69 110.255 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.404 HG21 ' CE1' ' A' ' 36' ' ' TYR . 14.6 t -161.42 164.0 30.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 0.58 110.376 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -134.69 161.34 35.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.381 -0.372 . . . . 0.38 110.455 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -158.18 143.81 16.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.849 -0.426 . . . . 0.38 109.849 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.88 121.68 36.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.384 -0.599 . . . . 2.26 109.384 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.35 159.2 42.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.832 -0.433 . . . . 0.38 109.832 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.1 m -104.73 2.84 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.265 0.469 . . . . 1.09 112.265 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 4.7 m-20 -132.82 144.25 50.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.888 -0.412 . . . . 2.13 109.888 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.95 71.79 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.029 0.443 . . . . 0.59 110.25 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -72.69 -37.3 67.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.629 -0.714 . . . . 0.48 111.387 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 16.6 m -66.24 -33.89 76.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.517 -0.311 . . . . 0.46 111.452 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.23 75.21 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.341 0.591 . . . . 0.28 109.639 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 18.4 tt0 -62.61 -57.1 12.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.648 -1.16 . . . . 1.29 109.95 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.4 mmtp -56.92 -43.96 81.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.407 -0.815 . . . . 2.42 112.707 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.24 -44.36 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.3 110.87 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -70.0 -21.5 63.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.456 . . . . 1.11 112.024 -179.16 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.0 mtpp -76.39 -34.65 58.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.45 -0.574 . . . . 1.09 109.45 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -74.11 -30.98 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.85 -0.796 . . . . 2.2 108.85 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.426 ' HE1' HD21 ' A' ' 10' ' ' LEU . 42.2 t80 -64.04 -50.31 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.619 -0.719 . . . . 1.24 109.543 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 0.22 110.042 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -59.71 -40.73 88.96 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.463 -0.789 . . . . 1.39 110.332 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.31 -21.31 65.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 1.78 111.232 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -101.97 2.47 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.69 23.37 76.78 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 115.96 -0.564 . . . . 0.37 113.089 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.89 118.97 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.104 0.478 . . . . 0.46 110.536 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -150.41 97.88 2.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.705 -0.679 . . . . 1.86 109.246 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -130.87 -169.47 12.47 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 121.154 -0.546 . . . . 0.43 111.842 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.49 129.39 35.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.752 0.311 . . . . 2.79 110.197 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.638 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.0 m95 -100.18 115.0 28.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.838 -0.619 . . . . 0.41 111.372 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.443 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 21.6 p -116.46 160.18 20.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 0.63 109.942 178.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -144.6 156.81 44.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.92 0.39 . . . . 1.18 111.089 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.88 129.22 29.9 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.983 -1.117 . . . . 2.07 107.983 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -79.61 -23.6 42.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.019 0.378 . . . . 2.28 112.019 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.23 -37.42 45.39 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.915 -0.314 . . . . 0.91 111.714 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 p -97.87 -14.14 20.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.771 0.656 . . . . 1.19 112.771 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 63.11 13.05 6.49 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.55 0.69 . . . . 2.08 110.37 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.6 m -84.9 132.16 34.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.326 -0.852 . . . . 0.51 112.136 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -96.5 130.81 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.702 -1.221 . . . . 1.19 107.702 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.443 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 19.9 m -118.23 111.55 18.94 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.519 -0.472 . . . . 0.96 111.023 -176.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 p -101.89 110.76 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.921 -0.77 . . . . 0.3 108.921 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -109.8 123.05 48.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 0.52 112.316 -173.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -72.02 153.21 41.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.086 -0.709 . . . . 2.56 109.086 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.26 132.26 1.63 Allowed Glycine 0 CA--C 1.51 -0.254 0 C-N-CA 120.184 -1.007 . . . . 2.32 112.207 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 p -158.38 -41.86 0.06 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.05 0.452 . . . . 4.41 110.294 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.24 57.73 0.68 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.014 -0.612 . . . . 4.49 111.865 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.16 12.05 70.57 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.506 -0.854 . . . . 6.24 112.016 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.19 -177.95 5.96 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.131 -0.322 . . . . 6.29 110.131 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.11 95.05 1.49 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.8 -0.714 . . . . 8.41 112.1 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.75 26.38 7.49 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.026 -0.607 . . . . 10.44 112.297 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -172.24 -54.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.185 0.594 . . . . 12.25 109.439 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.18 27.67 43.79 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.569 -0.824 . . . . 11.72 112.175 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.3 mmt 63.91 -162.35 0.28 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.621 0.368 . . . . 14.29 110.499 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.8 mt 59.86 46.44 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.714 0.768 . . . . 14.51 110.197 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -106.7 14.09 27.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.757 -0.656 . . . . 16.8 109.638 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.36 134.33 91.08 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.231 -0.895 . . . . 17.64 110.345 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.64 171.22 15.99 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.274 1.983 . . . . 20.1 113.718 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -164.64 138.55 5.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.276 -1.329 . . . . 20.94 108.783 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -99.91 126.92 35.15 Favored Pre-proline 0 C--N 1.321 -0.655 0 C-N-CA 120.742 -0.383 . . . . 22.94 110.946 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -64.6 154.49 71.84 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.202 1.935 . . . . 23.54 111.211 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -49.65 119.17 4.38 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.851 2.367 . . . . 25.03 112.378 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.22 -28.57 15.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.868 -0.682 . . . . 26.59 113.335 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -82.95 125.91 31.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.836 0.818 . . . . 26.61 110.155 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 42.7 mt-10 -120.63 136.69 54.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.85 0.357 . . . . 26.95 110.845 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 54.9 ttp -104.82 124.58 49.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.737 -0.838 . . . . 25.77 108.737 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.645 ' HD2' HG21 ' A' ' 92' ' ' VAL . 87.8 mttt -142.07 153.5 44.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.399 -0.593 . . . . 28.23 109.399 -176.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 89.9 m-85 -118.43 159.15 23.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.034 0.445 . . . . 29.77 111.605 -175.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.7 p -95.99 170.48 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.439 -0.948 . . . . 31.75 108.439 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -77.02 14.21 0.91 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.174 0.511 . . . . 34.32 111.509 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -121.28 2.83 10.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 35.43 110.13 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.19 19.68 62.17 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.682 -0.77 . . . . 31.3 112.29 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.68 143.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.59 -0.522 . . . . 31.86 109.59 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 9.5 ttt180 -98.62 131.15 45.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.928 -0.578 . . . . 28.74 111.232 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -138.97 151.52 46.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.048 -0.723 . . . . 30.27 109.048 173.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -114.22 146.28 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.019 0.437 . . . . 28.69 110.467 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.645 HG21 ' HD2' ' A' ' 82' ' ' LYS . 47.5 t -115.73 110.57 32.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.804 -0.635 . . . . 29.13 111.022 -176.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.78 87.09 2.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 107.181 -1.415 . . . . 29.7 107.181 173.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -75.22 -2.25 27.11 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.996 -0.44 . . . . 29.9 111.442 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -76.14 -42.17 47.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 31.42 109.815 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.1 p -104.77 -13.46 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.471 . . . . 33.14 110.172 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 66.09 69.58 0.44 Allowed 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 114.849 -1.068 . . . . 35.29 111.036 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -142.4 156.09 45.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 113.704 -1.589 . . . . 32.59 109.509 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.7 p -107.56 142.78 36.95 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.797 -0.361 . . . . 32.77 110.858 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -150.36 158.7 44.44 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.567 0.223 . . . . 30.32 110.654 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -108.94 108.48 19.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.143 -0.317 . . . . 31.76 110.143 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -139.36 99.9 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.423 -0.353 . . . . 28.42 111.594 -178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.34 148.02 33.81 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.875 -0.416 . . . . 27.82 109.875 175.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -63.51 -30.7 71.58 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.993 2.462 . . . . 26.03 113.774 -175.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -97.75 134.59 22.19 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 120.712 -0.395 . . . . 27.8 111.429 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -69.51 119.25 6.24 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.702 1.602 . . . . 29.2 111.149 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.22 -30.58 3.3 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.187 -0.53 . . . . 30.61 112.593 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.7 t80 58.3 31.58 21.03 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.839 0.352 . . . . 30.1 110.594 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.179 -0.915 . . . . 32.01 110.485 178.823 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.756 -0.538 . . . . 4.75 111.756 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.455 ' O ' HG12 ' A' ' 24' ' ' VAL . 10.7 t -93.88 136.28 34.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.826 0.346 . . . . 2.45 110.34 -178.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -91.49 120.15 32.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.098 -0.705 . . . . 2.5 109.098 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ptp -108.32 138.22 44.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.383 0.538 . . . . 2.06 109.831 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -70.27 135.11 48.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 1.9 111.545 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 9.3 m-85 -124.96 154.63 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.563 -0.744 . . . . 0.83 109.183 176.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.719 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.4 ptpt -137.12 153.6 50.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.719 0.295 . . . . 2.57 111.254 -178.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.8 tp -141.1 138.64 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.637 -0.71 . . . . 0.33 110.483 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.4 mt -119.64 124.29 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 108.724 -0.843 . . . . 0.62 108.724 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.76 105.64 17.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.224 -0.658 . . . . 0.25 109.224 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -101.65 86.29 2.91 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 120.189 -0.605 . . . . 1.96 109.604 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.593 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -142.43 123.51 2.19 Favored Glycine 0 C--O 1.218 -0.854 0 N-CA-C 109.45 -1.46 . . . . 0.91 109.45 176.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -41.18 -42.44 2.06 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.705 1.002 . . . . 3.26 113.705 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -79.36 -31.61 42.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.168 -0.332 . . . . 1.93 111.885 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -133.62 106.79 7.6 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.139 -0.351 . . . . 1.8 110.831 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 10.3 mtmm -126.36 128.75 47.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.091 0.472 . . . . 2.49 110.955 -177.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.89 -169.17 40.98 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.39 110.991 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.93 163.59 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.217 0.509 . . . . 1.69 111.054 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -161.44 164.36 29.85 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.529 -0.545 . . . . 0.58 109.529 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.1 p -128.82 158.41 38.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.574 0.226 . . . . 0.38 111.231 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 t -156.22 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.987 -0.745 . . . . 0.38 108.987 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -102.46 138.03 39.91 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.958 -0.386 . . . . 2.26 109.958 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.52 162.06 41.35 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 110.361 -0.237 . . . . 0.38 110.361 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 2' ' ' SER . 30.1 m -101.51 -9.71 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.302 0.482 . . . . 1.09 112.302 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 19.6 m-20 -137.19 153.15 50.5 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.994 -0.373 . . . . 2.13 109.994 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.82 -39.71 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.38 . . . . 0.59 110.791 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.63 -35.36 80.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 0.48 111.009 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 5.2 m -67.48 -33.0 74.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 0.46 111.06 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -33.4 70.31 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.51 0.672 . . . . 0.28 109.267 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -67.36 -55.81 12.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.851 -1.068 . . . . 1.29 109.515 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 27.4 mmmt -51.06 -43.11 60.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.828 -0.624 . . . . 2.42 112.531 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.62 -50.44 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.733 0.302 . . . . 0.3 111.436 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 6.5 m-85 -66.75 -22.98 66.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.938 0.347 . . . . 1.11 111.938 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 37.6 mtpt -70.78 -43.17 69.27 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.093 -0.336 . . . . 1.09 110.093 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.58 -31.11 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.053 -0.721 . . . . 2.2 109.053 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.573 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 19.2 t80 -66.93 -47.89 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.836 -1.074 . . . . 1.24 110.551 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.18 65.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.009 -0.541 . . . . 0.22 110.43 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -61.96 -45.35 94.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.412 -0.813 . . . . 1.39 110.032 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.2 -24.05 67.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.927 -0.579 . . . . 1.78 111.099 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -94.74 -7.35 40.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 1.78 110.798 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.84 27.93 61.81 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.027 -0.606 . . . . 0.37 113.151 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.22 120.48 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.105 -0.702 . . . . 0.46 109.105 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.02 98.51 3.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.458 -0.792 . . . . 1.86 109.008 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.81 -169.32 16.51 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.768 -0.533 . . . . 0.43 111.768 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.24 144.88 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.697 0.284 . . . . 2.79 111.247 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.0 m95 -114.14 116.1 28.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.934 -0.575 . . . . 0.41 111.45 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 p -109.89 158.95 17.66 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.892 -0.595 . . . . 0.63 109.826 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -151.9 140.17 20.39 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.993 -0.283 . . . . 1.18 111.092 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.68 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.2 p30 -112.3 150.44 30.98 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.512 -0.921 . . . . 2.07 108.512 176.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.9 -60.5 2.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.283 0.845 . . . . 2.28 113.283 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.86 88.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.497 0.925 . . . . 0.91 113.497 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -99.67 -8.09 24.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.314 0.857 . . . . 1.19 113.314 -175.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 56.38 40.2 29.81 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.134 0.493 . . . . 2.08 111.266 177.419 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.0 m -90.05 107.76 19.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.018 -0.537 . . . . 0.51 111.372 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 29.9 m-85 -83.9 128.29 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.698 -0.853 . . . . 1.19 108.698 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.1 m -125.79 121.46 33.38 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.794 -0.362 . . . . 0.96 110.711 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -104.12 112.59 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.479 -0.934 . . . . 0.3 108.479 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.5 m -108.25 124.31 50.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.536 -0.756 . . . . 0.52 111.246 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.2 147.0 53.35 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.912 -0.586 . . . . 2.56 110.037 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.45 -161.47 33.18 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.466 -0.873 . . . . 2.32 111.392 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 p -143.13 -57.36 0.42 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.848 0.356 . . . . 4.41 111.405 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.54 72.38 1.28 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.094 -1.05 . . . . 4.49 110.96 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.34 -25.12 74.85 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.383 -0.437 . . . . 6.24 112.721 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 65.19 -167.77 0.21 Allowed 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.9 0.48 . . . . 6.29 110.898 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.75 60.3 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.347 -0.93 . . . . 8.41 112.499 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.41 27.34 11.62 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.759 -0.734 . . . . 10.44 112.555 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -92.49 -75.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.893 0.378 . . . . 12.25 110.68 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.5 -158.87 27.9 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.02 -0.609 . . . . 11.72 111.78 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.6 ptm -146.88 86.05 1.64 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.422 0.629 . . . . 14.29 111.488 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.5 mm -133.25 84.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.998 -0.741 . . . . 14.51 108.998 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -130.45 13.64 5.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 16.8 111.768 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -104.76 143.43 26.69 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.447 -0.575 . . . . 17.64 109.447 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.06 174.98 8.12 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.839 2.359 . . . . 20.1 113.571 -176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.04 167.1 31.45 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.781 -1.099 . . . . 20.94 110.13 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.34 157.0 34.61 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.218 -0.446 . . . . 22.94 109.969 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.76 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 3.0 Cg_exo -76.69 173.28 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.057 1.838 . . . . 23.54 110.35 178.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 65.8 Cg_endo -64.42 128.37 21.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.615 2.21 . . . . 25.03 111.637 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -8.91 61.79 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 120.459 -0.877 . . . . 26.59 114.612 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.76 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.0 m95 -98.3 114.63 27.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.707 1.254 . . . . 26.61 111.161 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.636 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 49.3 mt-10 -105.65 142.68 34.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.419 -0.585 . . . . 26.95 109.419 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -134.85 134.74 41.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.281 -0.266 . . . . 25.77 110.281 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -160.76 157.01 26.16 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.842 -0.429 . . . . 28.23 109.842 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -102.29 148.76 25.07 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.66 -0.246 . . . . 29.77 110.675 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 p -86.96 -178.35 6.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.248 -0.433 . . . . 31.75 110.441 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p -65.26 -38.38 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.409 0.522 . . . . 34.32 112.409 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.05 9.45 14.67 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.812 0.339 . . . . 35.43 111.27 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.25 14.87 67.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.006 -0.616 . . . . 31.3 113.763 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.7 t -86.75 134.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.985 0.393 . . . . 31.86 110.236 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.52 HH21 ' HZ ' ' A' ' 91' ' ' PHE . 48.5 ttt180 -93.35 127.42 38.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.969 -0.559 . . . . 28.74 110.448 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -132.73 155.27 49.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.396 -0.522 . . . . 30.27 110.245 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.52 ' HZ ' HH21 ' A' ' 89' ' ' ARG . 19.5 m-85 -114.43 146.63 40.38 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.203 0.525 . . . . 28.69 110.971 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.636 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.4 t -120.22 103.83 14.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.347 -0.842 . . . . 29.13 110.042 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.7 92.47 2.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.625 -1.25 . . . . 29.7 107.625 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -71.84 -13.01 61.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.958 0.409 . . . . 29.9 110.599 -175.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -74.4 -33.92 63.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 31.42 110.329 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.2 p -112.38 -10.02 13.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.591 0.234 . . . . 33.14 111.293 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 62.31 72.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.084 0.945 . . . . 35.29 110.654 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 p -149.9 156.56 41.98 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.173 -1.376 . . . . 32.59 110.043 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -112.56 126.62 55.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.588 -0.523 . . . . 32.77 109.588 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.7 t -132.09 156.18 46.79 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.109 0.481 . . . . 30.32 111.053 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -112.01 99.32 7.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.782 -0.644 . . . . 31.76 110.882 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -136.32 101.02 4.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.133 -0.691 . . . . 28.42 109.133 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 13.6 t70 -111.55 144.88 31.47 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.573 -0.74 . . . . 27.82 110.48 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 18.2 Cg_exo -64.19 -22.02 67.27 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.013 2.475 . . . . 26.03 113.787 -179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 139.91 84.92 Favored Pre-proline 0 CA--C 1.532 0.252 0 C-N-CA 120.266 -0.574 . . . . 27.8 109.859 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.77 118.83 5.92 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.037 1.825 . . . . 29.2 112.881 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.43 -30.63 1.42 Allowed Glycine 0 CA--C 1.524 0.64 0 CA-C-O 119.423 -0.654 . . . . 30.61 113.769 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.9 t80 53.75 62.43 2.62 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.607 0.717 . . . . 30.1 109.332 -175.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.038 -0.982 . . . . 32.01 109.312 -178.773 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.772 -0.531 . . . . 4.75 111.772 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -93.6 -6.61 46.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.713 0.292 . . . . 2.45 111.426 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -120.74 161.03 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.357 -0.238 . . . . 2.5 110.357 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.8 mtp -121.19 137.37 54.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.183 -1.043 . . . . 2.06 108.183 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -83.78 116.14 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 1.9 111.121 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.453 ' CE1' ' HE3' ' A' ' 53' ' ' LYS . 59.3 m-85 -107.91 156.67 18.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.829 -0.623 . . . . 0.83 109.366 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 8.8 ptpp? -134.01 155.19 50.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.303 -0.408 . . . . 2.57 111.59 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.6 tp -136.52 145.03 44.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.33 110.084 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.468 HG12 ' HG2' ' A' ' 18' ' ' GLU . 82.8 mt -124.09 123.35 66.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.082 -0.71 . . . . 0.62 109.082 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.4 mm? -92.15 104.57 16.94 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.304 -0.628 . . . . 0.25 109.304 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 6.7 m120 -95.18 85.22 4.24 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.784 -0.821 . . . . 1.96 108.784 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.769 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -144.42 144.23 13.09 Favored Glycine 0 C--O 1.222 -0.618 0 CA-C-N 115.786 -0.643 . . . . 0.91 112.406 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -49.38 -45.65 46.24 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.41 0.684 . . . . 3.26 112.564 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -104.92 8.7 34.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.379 . . . . 1.93 111.056 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.05 95.58 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.983 -0.747 . . . . 1.8 108.983 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.769 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 88.7 mttt -133.52 111.15 10.46 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.687 -0.688 . . . . 2.49 109.993 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.36 -172.4 44.84 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.496 -1.042 . . . . 0.39 110.496 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HG2' HG12 ' A' ' 9' ' ' ILE . 27.4 mt-10 -135.27 167.08 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.25 0.525 . . . . 1.69 110.658 -178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.454 HG21 ' CE2' ' A' ' 36' ' ' TYR . 15.3 t -159.41 161.41 35.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.648 . . . . 0.58 109.249 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -138.1 159.18 42.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.988 0.423 . . . . 0.38 111.672 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -159.32 156.56 28.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.734 -0.666 . . . . 0.38 109.247 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.73 124.5 48.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.064 0.459 . . . . 2.26 109.852 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.82 157.55 46.49 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.957 -0.386 . . . . 0.38 109.957 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 -25.76 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 111.595 0.22 . . . . 1.09 111.595 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -135.95 158.17 45.05 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.871 -0.418 . . . . 2.13 109.871 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.02 65.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.562 -0.29 . . . . 0.59 111.047 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.97 74.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.078 0.466 . . . . 0.48 110.384 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -73.41 -28.88 62.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.462 -0.79 . . . . 0.46 110.454 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.03 -37.76 64.23 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.163 -0.472 . . . . 0.28 110.193 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.29 -57.98 8.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.72 -0.673 . . . . 1.29 109.464 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 31' ' ' LYS . 29.8 mmtp -48.71 -45.22 38.98 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.977 -1.011 . . . . 2.42 113.362 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.21 -45.5 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 121.187 -0.205 . . . . 0.3 111.193 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.626 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.3 m-85 -71.0 -16.88 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.891 -0.323 . . . . 1.11 111.475 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -67.83 -44.53 77.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.502 -0.555 . . . . 1.09 109.502 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' OE1' ' HA ' ' A' ' 35' ' ' GLN . 6.3 tp60 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 2.2 109.231 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.626 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 33.8 t80 -68.26 -48.18 65.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.025 -0.989 . . . . 1.24 110.419 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.7 -32.18 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.22 110.039 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.47 -41.62 98.91 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.689 -0.687 . . . . 1.39 109.598 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.23 -20.1 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.351 -0.84 . . . . 1.78 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -93.63 -12.53 29.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.528 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.87 29.62 41.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.162 -0.542 . . . . 0.37 113.135 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.15 116.73 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 117.611 0.706 . . . . 0.46 111.064 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -114.36 132.53 56.17 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.272 -1.01 . . . . 1.86 108.272 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.02 -175.23 47.15 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.801 -1.19 . . . . 0.43 112.772 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -72.65 150.96 42.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.985 0.421 . . . . 2.79 110.499 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -111.71 103.99 12.31 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.785 -0.643 . . . . 0.41 110.803 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -104.63 155.19 19.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 0.63 109.927 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -148.22 149.75 32.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 1.18 110.864 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -129.62 131.16 46.39 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.354 -0.98 . . . . 2.07 108.354 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.99 -22.1 31.49 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.266 -0.271 . . . . 2.28 111.569 -173.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.44 -36.78 57.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.855 0.36 . . . . 0.91 111.245 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.2 p -99.59 -17.45 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.362 0.504 . . . . 1.19 112.362 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE3' ' CE1' ' A' ' 6' ' ' TYR . 28.0 mmmt 61.35 47.8 6.57 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.664 -0.865 . . . . 2.08 108.664 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.572 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 9.8 m -117.42 124.77 49.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.706 -1.134 . . . . 0.51 112.029 -174.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.553 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.4 m-85 -95.48 130.1 42.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.674 -0.862 . . . . 1.19 108.674 173.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -124.56 124.09 41.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.087 -0.383 . . . . 0.96 110.941 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -107.47 109.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.26 -1.015 . . . . 0.3 108.26 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.44 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 5.4 m -97.99 118.15 33.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.977 -0.556 . . . . 0.52 111.048 -175.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -74.7 88.75 2.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.723 -0.671 . . . . 2.56 109.458 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.42 128.91 4.86 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.823 -0.703 . . . . 2.32 111.639 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 m -148.79 20.54 1.01 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.971 0.415 . . . . 4.41 110.232 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -140.09 85.72 0.21 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.246 -0.978 . . . . 4.49 112.844 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.57 -29.07 74.16 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 110.644 -0.983 . . . . 6.24 110.644 175.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.32 136.88 15.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.41 -0.959 . . . . 6.29 108.41 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.71 103.12 0.18 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 119.752 -1.213 . . . . 8.41 112.981 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.09 -38.67 3.74 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.915 -0.874 . . . . 10.44 110.915 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 63.42 17.35 10.24 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.303 0.641 . . . . 12.25 110.783 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.44 82.81 0.16 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.623 -0.798 . . . . 11.72 113.091 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.618 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 27.8 ttt -145.95 69.55 1.22 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.402 -0.592 . . . . 14.29 109.402 177.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.618 ' HB ' ' O ' ' A' ' 69' ' ' MET . 12.3 tt 160.92 9.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 114.822 -1.081 . . . . 14.51 108.75 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -103.71 21.73 15.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.24 -1.022 . . . . 16.8 108.24 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.02 157.67 51.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.216 -1.356 . . . . 17.64 109.34 -175.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.92 150.36 26.76 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.489 2.126 . . . . 20.1 111.045 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.35 -167.97 1.58 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.917 -0.583 . . . . 20.94 110.332 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.428 HD22 ' H ' ' A' ' 75' ' ' LEU . 3.2 mm? -61.81 130.53 92.48 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.106 -0.497 . . . . 22.94 110.006 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.28 150.63 83.87 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.383 2.055 . . . . 23.54 111.966 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -49.5 120.43 5.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.717 2.278 . . . . 25.03 111.95 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.13 -29.53 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.297 -0.954 . . . . 26.59 113.134 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -90.07 126.0 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 117.507 0.654 . . . . 26.61 110.325 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.3 150.15 45.74 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 122.103 -0.373 . . . . 26.95 110.054 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -128.14 127.37 42.86 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.312 -0.625 . . . . 25.77 109.312 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -141.12 160.28 40.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.441 -0.577 . . . . 28.23 109.441 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -112.26 149.16 32.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.617 0.246 . . . . 29.77 110.889 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.9 p -83.45 178.86 7.84 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.661 -0.866 . . . . 31.75 108.661 175.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 m -68.64 -11.52 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.66 0.985 . . . . 34.32 113.66 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 7.9 15.0 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.886 0.374 . . . . 35.43 111.2 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.91 63.65 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.14 -1.029 . . . . 31.3 112.982 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.11 132.94 30.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.607 -0.886 . . . . 31.86 108.607 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -104.69 145.07 30.87 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.808 0.337 . . . . 28.74 111.567 -175.466 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -138.56 155.16 48.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.245 -0.65 . . . . 30.27 109.245 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.747 ' CD2' ' HA ' ' A' ' 102' ' ' LYS . 69.3 m-85 -107.86 155.5 20.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 120.419 -0.512 . . . . 28.69 110.089 178.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.5 102.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.942 -0.572 . . . . 29.13 110.266 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.35 86.31 1.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.186 -1.042 . . . . 29.7 108.186 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -70.71 -14.91 62.63 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.205 -0.309 . . . . 29.9 111.63 -174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -82.65 -17.79 43.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.789 0.292 . . . . 31.42 111.789 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.6 p -120.85 -1.61 9.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.72 0.295 . . . . 33.14 110.684 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 56.74 67.01 1.05 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.974 0.892 . . . . 35.29 111.182 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 t -159.74 170.58 21.22 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.326 -1.306 . . . . 32.59 109.968 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 p -124.51 101.52 7.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.199 -0.455 . . . . 32.77 110.761 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 t -89.96 159.59 16.83 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.796 -0.446 . . . . 30.32 109.796 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -84.45 143.94 29.07 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 119.491 -0.884 . . . . 31.76 110.823 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.747 ' HA ' ' CD2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -54.35 137.03 42.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.631 1.715 . . . . 28.42 115.631 -173.589 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -123.2 144.04 42.53 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 113.724 -1.58 . . . . 27.82 107.339 169.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -57.29 -27.36 74.86 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 122.613 2.209 . . . . 26.03 112.603 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -111.34 109.51 56.37 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-O 119.623 -0.227 . . . . 27.8 110.5 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.72 123.29 11.98 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 122.175 1.916 . . . . 29.2 112.544 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.25 -36.45 3.56 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-O 119.716 -0.491 . . . . 30.61 112.022 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.4 p90 39.15 32.17 0.07 Allowed 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 113.975 1.102 . . . . 30.1 113.975 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 119.008 -0.52 . . . . 32.01 110.243 178.565 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.361 -0.696 . . . . 4.75 111.361 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m -107.95 17.75 22.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.087 0.47 . . . . 2.45 110.351 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 39.3 m170 -120.16 162.24 19.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.019 -0.537 . . . . 2.5 110.983 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.5 mtp -111.6 138.84 47.61 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.343 -0.984 . . . . 2.06 108.343 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -80.35 118.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.858 0.361 . . . . 1.9 111.271 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 54.6 m-85 -120.03 139.18 52.92 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.139 -0.689 . . . . 0.83 109.139 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HB3' HG22 ' A' ' 20' ' ' THR . 14.8 ptpt -122.69 158.43 30.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.32 0.581 . . . . 2.57 111.43 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -139.49 137.55 35.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.961 -1.018 . . . . 0.33 110.159 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 18' ' ' GLU . 34.5 mt -116.37 122.38 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.155 -0.683 . . . . 0.62 109.155 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -92.88 107.91 19.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 109.142 -0.688 . . . . 0.25 109.142 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.36 85.88 2.56 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.886 -1.154 . . . . 1.96 107.886 177.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.647 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.33 139.17 7.13 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.488 -0.778 . . . . 0.91 111.544 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 11.3 mmmm -47.73 -31.63 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.733 0.813 . . . . 3.26 112.763 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 p -80.19 -33.25 38.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 1.93 111.783 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -150.97 112.7 4.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.459 -0.337 . . . . 1.8 111.037 -176.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 1.5 mtmt -122.18 111.9 17.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 2.49 109.96 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.64 -171.72 43.98 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.305 -1.118 . . . . 0.39 110.305 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -152.66 157.39 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.49 0.645 . . . . 1.69 111.693 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -155.22 179.63 8.97 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.138 -0.483 . . . . 0.58 110.568 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 7' ' ' LYS . 52.8 p -133.69 157.7 45.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 111.999 0.37 . . . . 0.38 111.999 -177.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -146.14 156.71 43.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.788 -0.819 . . . . 0.38 108.788 175.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 49.0 mt-10 -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.651 -0.249 . . . . 2.26 110.497 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.66 158.48 43.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.696 -0.483 . . . . 0.38 109.696 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -103.3 6.83 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 117.787 0.267 . . . . 1.09 111.557 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -153.12 156.9 39.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.717 0.294 . . . . 2.13 110.558 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.77 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.905 -0.589 . . . . 0.59 111.139 -177.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.67 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.04 0.448 . . . . 0.48 110.256 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -64.12 -29.85 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.524 -0.762 . . . . 0.46 110.395 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.22 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.195 0.521 . . . . 0.28 109.965 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 22.0 tt0 -63.22 -56.9 12.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.917 -1.038 . . . . 1.29 109.894 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -48.57 -44.54 36.75 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.131 -0.94 . . . . 2.42 113.487 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -66.68 -47.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.706 0.289 . . . . 0.3 111.413 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.6 m-85 -66.65 -20.93 66.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.579 -0.282 . . . . 1.11 111.289 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 11.1 mtpt -68.76 -41.17 79.23 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.658 -0.497 . . . . 1.09 109.658 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -70.39 -33.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.873 -0.788 . . . . 2.2 108.873 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.472 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 38.1 t80 -65.75 -50.28 65.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.784 -1.098 . . . . 1.24 110.946 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.52 -33.64 71.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.094 0.473 . . . . 0.22 110.285 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -56.53 -57.0 14.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.081 -0.963 . . . . 1.39 111.517 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -17.86 64.07 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.183 0.438 . . . . 1.78 112.183 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -86.54 -13.6 45.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.994 0.426 . . . . 1.78 110.278 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.23 28.81 26.89 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.543 -0.753 . . . . 0.37 112.584 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.33 114.59 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 120.979 0.418 . . . . 0.46 110.388 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -144.14 97.01 2.98 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.74 0.781 . . . . 1.86 109.448 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -132.74 -166.93 11.62 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.463 -1.055 . . . . 0.43 110.463 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.627 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 13.4 pt-20 -53.45 133.43 40.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.789 0.328 . . . . 2.79 110.169 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -108.9 118.49 36.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.486 -0.325 . . . . 0.41 110.626 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.473 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 25.6 p -126.36 149.03 49.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.157 -0.474 . . . . 0.63 110.703 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -141.23 137.56 32.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.18 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -121.85 135.66 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.906 -1.146 . . . . 2.07 107.906 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -87.9 -10.26 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 2.28 110.984 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.14 -36.57 64.16 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.64 -0.424 . . . . 0.91 110.837 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -109.69 -15.12 14.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.677 0.621 . . . . 1.19 112.677 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 6' ' ' TYR . 14.1 mptt 64.9 34.58 9.02 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.282 0.563 . . . . 2.08 110.23 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.404 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.7 m -101.9 119.02 38.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 0.51 112.07 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 37.2 m-85 -89.72 127.73 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.202 -1.036 . . . . 1.19 108.202 171.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.473 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 12.7 m -120.09 118.26 30.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.12 -0.491 . . . . 0.96 110.844 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -113.86 110.83 33.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.458 0.647 . . . . 0.3 109.324 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.627 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 25.0 m -109.83 122.73 48.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.762 -0.653 . . . . 0.52 111.812 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -66.12 153.16 43.09 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.075 -0.512 . . . . 2.56 110.401 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -163.21 146.99 12.33 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 111.374 -0.691 . . . . 2.32 111.374 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.6 m -148.94 -67.96 0.22 Allowed 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.667 -0.314 . . . . 4.41 111.01 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.1 -167.45 34.37 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.753 -0.737 . . . . 4.49 111.738 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.35 -40.59 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.767 -0.73 . . . . 6.24 112.346 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 57.57 31.08 19.77 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.659 0.384 . . . . 6.29 111.842 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.73 159.94 28.46 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.871 -0.681 . . . . 8.41 112.77 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.87 8.25 29.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.665 -0.778 . . . . 10.44 112.322 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 65.95 24.19 11.18 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.059 0.544 . . . . 12.25 111.127 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.15 170.09 11.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.503 -0.856 . . . . 11.72 112.939 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.2 54.88 0.79 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.483 0.659 . . . . 14.29 109.868 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.4 mt -102.28 77.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.492 -0.776 . . . . 14.51 109.068 -176.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -107.85 11.74 27.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.656 0.741 . . . . 16.8 110.061 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -93.25 147.32 33.55 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.03 -0.986 . . . . 17.64 110.044 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.03 174.49 10.53 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.318 2.012 . . . . 20.1 111.924 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.66 167.99 27.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.955 -0.566 . . . . 20.94 110.985 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.58 146.83 84.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.041 -0.527 . . . . 22.94 109.696 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 17.1 Cg_exo -69.6 147.89 64.92 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.938 1.759 . . . . 23.54 111.02 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -47.09 125.23 9.92 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.797 2.331 . . . . 25.03 112.052 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.61 -26.42 24.02 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.662 -0.78 . . . . 26.59 112.999 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.501 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.5 m95 -91.7 142.67 27.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.109 0.455 . . . . 26.61 110.552 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.617 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 9.6 tp10 -128.75 156.72 43.08 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.91 -0.774 . . . . 26.95 108.91 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.496 ' SD ' ' HD2' ' A' ' 89' ' ' ARG . 14.9 tmm? -138.33 120.6 15.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.188 -0.301 . . . . 25.77 110.188 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HE2' HG21 ' A' ' 92' ' ' VAL . 40.4 mtmt -141.52 163.29 33.33 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 109.85 -0.426 . . . . 28.23 109.85 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -107.58 158.57 17.13 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.648 0.261 . . . . 29.77 111.278 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.5 p -86.44 -161.54 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.041 -0.527 . . . . 31.75 109.674 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 p -85.48 -4.66 59.23 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.423 0.527 . . . . 34.32 112.423 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -120.81 14.0 11.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.903 0.382 . . . . 35.43 111.466 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.92 15.56 64.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 31.3 113.656 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.25 126.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.191 0.496 . . . . 31.86 109.937 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.496 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 1.3 ttt180 -89.18 127.38 35.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.77 -0.65 . . . . 28.74 111.847 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -122.34 153.26 39.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.891 -0.595 . . . . 30.27 109.726 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.536 ' HD2' ' H ' ' A' ' 102' ' ' LYS . 69.2 m-85 -98.1 144.47 27.56 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.129 -0.693 . . . . 28.69 109.129 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 48.2 t -127.66 112.64 28.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 29.13 111.258 -172.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.18 78.44 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.336 -0.616 . . . . 29.7 109.336 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -52.07 -20.25 2.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.092 0.557 . . . . 29.9 111.552 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -79.45 -31.0 42.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.105 -0.498 . . . . 31.42 112.005 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.6 p -117.05 -5.62 11.41 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 33.14 111.229 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 61.01 76.93 0.35 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.549 -0.751 . . . . 35.29 111.072 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.91 158.83 39.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.411 -1.268 . . . . 32.59 110.221 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.6 p -116.19 136.82 52.67 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.68 -0.489 . . . . 32.77 109.68 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -150.43 148.77 29.16 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.456 -0.498 . . . . 30.32 111.086 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -108.51 98.69 8.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.05 -0.523 . . . . 31.76 110.04 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.536 ' H ' ' HD2' ' A' ' 91' ' ' PHE . 30.3 mtpp -91.81 88.59 6.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.148 -0.686 . . . . 28.42 109.148 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -94.59 132.71 28.14 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.514 -0.766 . . . . 27.82 109.604 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.426 ' HG2' ' HD3' ' A' ' 105' ' ' ARG . 55.8 Cg_endo -71.18 -13.01 30.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.68 2.253 . . . . 26.03 113.012 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.426 ' HD3' ' HG2' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -99.57 109.72 56.19 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 119.456 -0.307 . . . . 27.8 110.238 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -53.28 118.34 4.74 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.551 1.5 . . . . 29.2 111.414 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.94 -22.1 2.44 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.931 -0.652 . . . . 30.61 113.48 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.5 p90 41.78 39.84 1.32 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.978 0.911 . . . . 30.1 112.671 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.378 -0.82 . . . . 32.01 109.131 177.411 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 112.438 -0.265 . . . . 4.75 112.438 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.506 ' O ' HG12 ' A' ' 24' ' ' VAL . 8.2 m -96.78 6.1 49.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 2.45 110.761 -177.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -112.34 161.83 16.22 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.287 -0.264 . . . . 2.5 110.287 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.6 tpt -138.61 171.52 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.6 -0.889 . . . . 2.06 108.6 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -105.2 120.04 40.54 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.147 -0.478 . . . . 1.9 110.909 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -114.87 138.29 50.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.452 -0.944 . . . . 0.83 108.452 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -123.02 163.38 20.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.224 0.535 . . . . 2.57 111.317 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 55' ' ' TYR . 14.8 tp -140.53 144.05 35.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.227 -0.897 . . . . 0.33 109.481 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.785 HG12 ' HG2' ' A' ' 18' ' ' GLU . 96.7 mt -119.01 123.09 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.043 -0.725 . . . . 0.62 109.043 177.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.85 95.02 9.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.27 -0.641 . . . . 0.25 109.27 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' HB2' HG23 ' A' ' 58' ' ' THR . 80.6 m-20 -87.85 81.75 7.48 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 107.689 -1.226 . . . . 1.96 107.689 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.31 129.0 4.03 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.233 -1.147 . . . . 0.91 110.233 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -55.26 -20.02 9.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.525 0.565 . . . . 3.26 112.525 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 p -79.88 -48.36 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.064 0.459 . . . . 1.93 110.73 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tp -140.29 113.34 8.3 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.95 -0.568 . . . . 1.8 110.312 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.3 mppt? -111.66 125.58 54.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.678 -0.49 . . . . 2.49 109.678 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.47 -169.66 41.38 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.568 -0.825 . . . . 0.39 112.097 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.785 ' HG2' HG12 ' A' ' 9' ' ' ILE . 43.0 mt-10 -137.64 167.63 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 1.69 110.564 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.504 HG21 ' CE1' ' A' ' 36' ' ' TYR . 14.5 t -159.78 166.05 31.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 0.58 110.072 177.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -136.94 159.98 40.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.691 0.281 . . . . 0.38 111.282 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -159.8 155.86 26.53 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.324 -0.398 . . . . 0.38 110.224 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -91.68 128.85 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.021 -0.733 . . . . 2.26 109.021 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.16 154.15 37.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.583 -0.447 . . . . 0.38 110.382 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 2' ' ' SER . 27.9 m -106.05 2.78 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.743 0.306 . . . . 1.09 111.585 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 11.8 m-20 -145.98 156.53 43.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.158 -0.682 . . . . 2.13 109.158 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.35 -40.18 27.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.446 -0.575 . . . . 0.59 109.446 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.14 90.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.807 -0.633 . . . . 0.48 111.114 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 6.0 m -67.88 -29.2 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.46 110.666 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.9 62.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.794 -0.447 . . . . 0.28 109.794 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.637 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 13.2 tt0 -61.1 -57.99 10.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.628 -0.714 . . . . 1.29 109.886 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.3 -43.71 61.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.823 0.675 . . . . 2.42 112.823 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 28' ' ' THR . 63.8 t -71.03 -49.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.724 0.297 . . . . 0.3 111.121 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.7 m-30 -66.78 -20.0 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 1.11 111.932 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 34.0 mtpt -73.16 -41.76 63.55 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.83 -0.348 . . . . 1.09 110.101 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -65.69 -32.53 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.91 -0.774 . . . . 2.2 108.91 174.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.504 ' CE1' HG21 ' A' ' 19' ' ' THR . 18.0 t80 -65.1 -50.19 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.764 -1.107 . . . . 1.24 110.428 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.93 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.655 -0.702 . . . . 0.22 110.271 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.56 -42.65 92.91 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.346 -0.843 . . . . 1.39 111.252 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -25.79 66.38 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.114 0.483 . . . . 1.78 111.177 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -102.72 1.59 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 1.78 111.197 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.51 29.09 64.32 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.054 -0.593 . . . . 0.37 113.296 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.3 116.11 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.868 0.366 . . . . 0.46 110.597 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -150.71 129.54 12.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.747 -0.661 . . . . 1.86 109.427 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' O ' ' HD1' ' A' ' 46' ' ' TRP . . . -170.28 -168.4 32.06 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.843 -0.903 . . . . 0.43 110.843 -174.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.9 128.79 28.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.005 0.431 . . . . 2.79 110.46 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.64 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.8 m95 -106.75 113.53 27.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.325 -0.852 . . . . 0.41 110.437 -177.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 p -124.71 158.46 33.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 0.63 110.791 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -139.17 152.87 47.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.235 . . . . 1.18 110.724 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.604 ' HB3' HG22 ' A' ' 52' ' ' THR . 2.8 t70 -133.3 114.97 14.36 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.974 -0.751 . . . . 2.07 108.974 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.09 -36.73 80.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.039 0.447 . . . . 2.28 111.415 -175.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.72 63.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.672 -0.695 . . . . 0.91 112.484 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.604 HG22 ' HB3' ' A' ' 49' ' ' ASP . 12.8 t -130.13 3.9 4.81 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.826 1.047 . . . . 1.19 113.826 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 44.53 35.09 1.25 Allowed 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.253 0.549 . . . . 2.08 111.39 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -112.38 117.36 32.23 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.912 -0.585 . . . . 0.51 110.958 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.472 ' O ' HD12 ' A' ' 8' ' ' LEU . 17.2 m-85 -83.65 137.65 33.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 1.19 109.327 173.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.43 121.84 39.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.231 -0.44 . . . . 0.96 111.85 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -115.0 118.58 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.87 -1.53 . . . . 0.3 106.87 175.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 m -124.37 120.07 31.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.292 0.567 . . . . 0.52 112.18 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.04 154.45 40.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.743 -1.117 . . . . 2.56 109.879 175.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.36 -164.58 9.1 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 120.886 -0.673 . . . . 2.32 113.265 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 t -86.27 -173.01 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.006 0.432 . . . . 4.41 110.977 -177.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -134.55 167.87 23.73 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.466 -0.654 . . . . 4.49 111.466 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.95 25.36 10.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.202 -0.999 . . . . 6.24 113.327 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.74 -78.98 0.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.217 0.508 . . . . 6.29 110.421 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.93 -68.78 3.43 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.177 -0.535 . . . . 8.41 113.398 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.83 -41.21 83.71 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.878 -0.677 . . . . 10.44 113.557 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -142.07 120.07 12.05 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.769 -0.456 . . . . 12.25 109.769 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.14 -170.99 47.55 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.796 -0.716 . . . . 11.72 113.185 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.776 ' HG2' ' H ' ' A' ' 70' ' ' ILE . 34.0 ttp -170.75 -151.36 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.62 -1.252 . . . . 14.29 107.62 -178.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.776 ' H ' ' HG2' ' A' ' 69' ' ' MET . 68.2 mt 77.33 85.29 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.453 0.644 . . . . 14.51 112.615 175.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -127.12 22.76 6.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.009 -1.848 . . . . 16.8 106.009 171.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -108.8 156.75 38.4 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 112.875 -1.966 . . . . 17.64 109.791 -176.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.8 151.73 36.33 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.21 1.94 . . . . 20.1 111.591 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.91 175.47 7.67 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.508 -0.769 . . . . 20.94 109.385 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 81' ' ' MET . 3.1 mm? -95.26 139.4 22.0 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.698 -0.482 . . . . 22.94 109.698 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.532 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 26.1 Cg_exo -64.17 160.96 35.86 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.186 1.924 . . . . 23.54 110.444 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -60.24 124.59 15.52 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.658 1.572 . . . . 25.03 110.817 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.93 -25.92 26.46 Favored Glycine 0 C--N 1.314 -0.686 0 C-N-CA 120.304 -0.95 . . . . 26.59 113.697 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.532 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -92.21 141.88 28.09 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 117.883 0.842 . . . . 26.61 111.739 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -129.07 148.89 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.568 -0.53 . . . . 26.95 109.568 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.516 ' HB2' HD11 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -123.28 131.23 53.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.522 -0.548 . . . . 25.77 109.522 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -150.45 156.39 41.37 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.735 -0.469 . . . . 28.23 109.735 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -111.86 151.83 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 110.391 -0.225 . . . . 29.77 110.391 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.7 p -88.06 166.3 14.55 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.509 -1.293 . . . . 31.75 107.509 173.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 p -75.71 14.97 0.55 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.253 0.478 . . . . 34.32 111.759 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -121.38 4.38 10.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 35.43 109.686 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.04 15.42 72.42 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.586 -0.734 . . . . 31.3 112.913 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -88.76 138.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 31.86 110.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -96.02 114.99 26.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.858 -0.61 . . . . 28.74 110.96 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -127.03 157.45 39.57 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.646 -0.502 . . . . 30.27 109.646 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -123.32 159.9 27.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 28.69 110.66 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 49.0 t -129.31 125.87 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.396 . . . . 29.13 111.417 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.27 103.55 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.452 -1.314 . . . . 29.7 107.452 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -72.21 -14.14 61.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.513 0.597 . . . . 29.9 110.942 -175.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -76.98 -47.15 21.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.449 -0.341 . . . . 31.42 110.412 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.8 p -92.29 -16.87 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.591 0.234 . . . . 33.14 110.423 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 67.26 40.02 2.88 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.312 1.053 . . . . 35.29 109.862 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.0 p -113.99 156.75 23.49 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.467 -1.697 . . . . 32.59 110.438 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.8 p -106.33 126.8 52.69 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.801 -0.814 . . . . 32.77 108.801 176.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 t -139.57 144.95 38.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.229 -0.588 . . . . 30.32 111.355 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -95.5 97.47 9.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.467 -0.938 . . . . 31.76 108.467 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -140.65 105.1 4.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.892 -0.595 . . . . 28.42 110.124 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -91.47 140.95 25.53 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 109.418 -0.586 . . . . 27.82 109.418 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.16 -23.55 74.11 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.43 2.087 . . . . 26.03 112.128 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.402 ' HB2' ' HD2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -85.23 133.16 43.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.589 -0.523 . . . . 27.8 109.589 177.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.93 118.4 5.68 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 121.261 1.307 . . . . 29.2 111.611 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 78.73 -29.61 2.04 Favored Glycine 0 CA--C 1.526 0.719 0 CA-C-N 116.122 -0.49 . . . . 30.61 113.148 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.402 ' HD2' ' HB2' ' A' ' 105' ' ' ARG . 32.0 t80 47.66 68.17 0.7 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.29 0.636 . . . . 30.1 111.202 -178.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.427 -0.797 . . . . 32.01 108.968 177.676 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.57 -0.612 . . . . 4.75 111.57 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -113.15 -48.93 2.94 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.225 0.536 . . . . 2.45 109.671 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -107.24 147.58 30.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.644 -0.873 . . . . 2.5 108.644 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mmm -110.01 138.18 46.75 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.754 -0.378 . . . . 2.06 110.194 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -80.47 116.37 20.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 1.9 110.634 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -102.63 146.87 27.54 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.717 -0.846 . . . . 0.83 108.717 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HB3' HG23 ' A' ' 54' ' ' THR . 56.6 tttm -117.11 140.84 49.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 2.57 111.084 -171.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 21.8 tp -124.48 144.57 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.736 -0.385 . . . . 0.33 110.285 174.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.4 mt -132.23 115.31 25.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.516 -0.766 . . . . 0.62 109.031 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD21 ' HE1' ' A' ' 36' ' ' TYR . 1.6 mm? -91.83 109.84 21.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.105 -0.702 . . . . 0.25 109.105 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -106.86 85.57 2.17 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.525 -0.917 . . . . 1.96 108.525 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.621 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -146.35 144.41 12.74 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.284 -0.871 . . . . 0.91 111.129 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 84.4 mttt -54.91 -25.37 28.74 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.857 0.863 . . . . 3.26 113.223 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 m -97.39 -40.52 8.67 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.29 -0.564 . . . . 1.93 110.549 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 15' ' ' LEU . 2.7 mm? -122.3 100.48 6.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.734 0.302 . . . . 1.8 111.456 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -113.68 116.88 30.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.521 -0.918 . . . . 2.49 108.521 173.803 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.55 -167.71 38.89 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.499 -0.857 . . . . 0.39 111.801 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -139.88 175.28 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.073 0.464 . . . . 1.69 110.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -170.26 157.6 6.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.254 -0.884 . . . . 0.58 109.561 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -130.49 160.67 33.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.357 -0.383 . . . . 0.38 110.968 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -151.94 149.25 28.72 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.807 -0.442 . . . . 0.38 109.807 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.77 109.34 21.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.336 -0.616 . . . . 2.26 109.336 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.18 162.77 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.874 -0.417 . . . . 0.38 109.874 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -95.22 -46.82 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 O-C-N 122.226 -0.296 . . . . 1.09 111.572 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -103.29 156.94 17.36 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 122.076 -0.39 . . . . 2.13 110.54 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -72.47 -42.43 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 0.59 110.576 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.53 76.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.022 -0.535 . . . . 0.48 110.751 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -70.62 -31.42 68.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 0.46 110.452 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.93 -33.09 63.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.729 -0.669 . . . . 0.28 110.235 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -63.25 -53.7 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.326 -0.62 . . . . 1.29 109.326 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -46.63 -43.92 17.9 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.627 -0.715 . . . . 2.42 112.759 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.38 -47.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.728 0.299 . . . . 0.3 111.067 -175.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 12.6 m-85 -71.82 -16.11 62.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 1.11 111.782 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -70.26 -40.11 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.146 -0.687 . . . . 1.09 109.146 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.534 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 1.6 tp60 -69.12 -41.86 76.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.353 -0.981 . . . . 2.2 108.353 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.519 ' HE1' HD21 ' A' ' 10' ' ' LEU . 71.2 t80 -58.47 -54.35 48.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.863 -1.517 . . . . 1.24 111.238 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.33 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.207 0.527 . . . . 0.22 110.254 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.04 -31.5 67.97 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.791 -0.64 . . . . 1.39 109.7 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.66 -38.62 91.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.292 -0.867 . . . . 1.78 110.972 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.07 -16.39 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 1.78 111.132 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.96 33.68 17.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.635 -0.793 . . . . 0.37 113.462 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -97.08 115.42 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.235 0.54 . . . . 0.46 110.296 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -126.52 133.54 51.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.327 -0.852 . . . . 1.86 109.484 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 178.32 -170.91 43.2 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.833 -0.907 . . . . 0.43 110.833 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -58.84 133.59 56.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.141 0.496 . . . . 2.79 110.591 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -102.92 102.59 12.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.86 -0.609 . . . . 0.41 109.942 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.526 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 6.4 p -97.7 156.7 16.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.212 -0.449 . . . . 0.63 111.148 -178.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 17.2 t80 -151.28 147.97 27.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.774 -0.825 . . . . 1.18 108.774 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.29 150.37 42.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.678 -0.86 . . . . 2.07 108.678 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.55 -14.07 41.24 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 121.14 -0.224 . . . . 2.28 111.383 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.65 -44.81 13.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.461 0.541 . . . . 0.91 112.461 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 p -116.51 -2.27 12.04 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.72 1.007 . . . . 1.19 113.72 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.584 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER 58.85 42.09 20.34 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.869 0.843 . . . . 2.08 110.1 -178.824 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 7' ' ' LYS . 24.7 m -93.34 124.03 37.04 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.722 -1.126 . . . . 0.51 110.429 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 40.2 m-85 -100.48 129.7 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.89 -0.782 . . . . 1.19 108.89 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.526 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 99.3 m -129.07 131.59 47.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 0.96 111.466 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.6 p -115.02 116.73 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.744 -0.836 . . . . 0.3 108.744 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.482 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 9.6 m -110.84 134.11 52.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.856 -0.611 . . . . 0.52 111.405 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 13.1 mt-10 -91.26 153.3 20.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.71 -0.478 . . . . 2.56 109.71 178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.19 107.34 1.81 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.37 -0.692 . . . . 2.32 111.37 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -134.27 -42.96 0.79 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 110.0 -0.37 . . . . 4.41 110.0 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.22 99.49 0.29 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.369 -0.919 . . . . 4.49 112.656 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.49 29.99 11.21 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.635 -0.793 . . . . 6.24 111.889 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.03 147.46 24.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.694 0.283 . . . . 6.29 110.902 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.75 28.71 7.72 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.751 -0.738 . . . . 8.41 111.79 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.26 0.63 79.3 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.068 -0.587 . . . . 10.44 112.855 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -96.47 -67.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.639 -0.504 . . . . 12.25 109.639 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.65 -83.26 1.52 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.053 -0.594 . . . . 11.72 112.799 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.56 ' HB2' ' HG3' ' A' ' 72' ' ' GLU . 19.8 ptm -75.03 116.32 15.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.62 0.248 . . . . 14.29 111.278 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -141.29 -37.75 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.214 0.531 . . . . 14.51 110.005 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -85.39 20.34 2.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.32 -0.854 . . . . 16.8 110.36 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.56 ' HG3' ' HB2' ' A' ' 69' ' ' MET . 17.5 mm-40 -79.34 150.21 73.52 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.719 -0.673 . . . . 17.64 111.927 -176.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -80.28 -172.5 1.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.624 2.216 . . . . 20.1 111.64 175.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 71.07 177.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.323 -0.853 . . . . 20.94 111.852 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 81' ' ' MET . 3.8 mm? -102.05 131.39 22.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 22.94 111.694 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 75' ' ' LEU . 38.1 Cg_exo -68.74 158.03 59.43 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.377 2.051 . . . . 23.54 110.92 173.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -48.98 123.38 9.78 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.915 2.41 . . . . 25.03 113.021 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.78 -26.58 23.88 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.596 -0.811 . . . . 26.59 114.06 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -88.0 140.34 29.59 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.658 0.729 . . . . 26.61 111.571 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.64 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 63.2 mt-10 -120.49 139.63 52.61 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.757 -0.461 . . . . 26.95 109.757 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.531 ' HB2' HD11 ' A' ' 75' ' ' LEU . 47.9 ttm -115.32 120.59 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.938 -0.393 . . . . 25.77 109.938 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -145.33 152.75 40.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.495 -0.557 . . . . 28.23 109.495 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -113.5 151.92 30.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.308 -0.256 . . . . 29.77 110.308 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 p -83.61 174.35 10.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.786 -0.82 . . . . 31.75 108.786 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -73.99 4.74 5.0 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.12 0.785 . . . . 34.32 113.12 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.695 ' HG3' HG23 ' A' ' 88' ' ' VAL . 10.0 pt-20 -121.7 5.79 10.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 35.43 110.789 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.86 9.2 58.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.522 -0.847 . . . . 31.3 113.691 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' HG3' ' A' ' 86' ' ' GLU . 86.6 t -81.44 130.09 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 117.374 0.587 . . . . 31.86 109.857 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -91.66 121.0 32.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 28.74 110.441 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -127.74 154.34 45.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.612 -0.514 . . . . 30.27 109.612 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.475 ' HE1' ' HE2' ' A' ' 81' ' ' MET . 92.0 m-85 -116.19 155.13 28.83 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 120.889 0.376 . . . . 28.69 110.833 -178.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.64 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 37.1 t -132.87 127.88 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 29.13 111.243 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.41 109.49 20.39 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.572 -1.269 . . . . 29.7 107.572 174.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -74.32 -25.83 59.79 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.066 -0.396 . . . . 29.9 111.853 -172.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' HG23 ' A' ' 96' ' ' THR . 5.8 p30 -71.84 -46.81 56.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.52 0.2 . . . . 31.42 111.459 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.452 HG23 ' OD1' ' A' ' 95' ' ' ASN . 14.3 p -90.06 -12.71 37.68 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.175 -0.328 . . . . 33.14 110.783 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 57.7 62.94 1.95 Allowed 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 122.198 0.999 . . . . 35.29 110.466 -177.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.0 p -135.95 154.7 51.02 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 113.514 -1.676 . . . . 32.59 110.55 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 p -108.64 137.22 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.72 . . . . 32.77 109.057 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 133.71 20.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.125 -0.63 . . . . 30.32 111.635 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -89.95 99.62 12.6 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.179 -0.919 . . . . 31.76 109.125 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -129.19 154.82 46.4 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.843 -0.799 . . . . 28.42 108.843 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.2 146.78 82.29 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.124 -0.324 . . . . 27.82 110.124 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -55.04 -34.39 86.93 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.785 2.323 . . . . 26.03 110.869 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.33 122.79 36.66 Favored Pre-proline 0 N--CA 1.447 -0.606 0 N-CA-C 107.899 -1.148 . . . . 27.8 107.899 174.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.96 122.77 11.16 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 121.922 1.748 . . . . 29.2 112.72 -173.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.39 -28.46 5.23 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.82 -0.627 . . . . 30.61 112.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.3 t80 55.18 56.71 6.19 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 109.061 -0.718 . . . . 30.1 109.061 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.485 -0.78 . . . . 32.01 110.488 -175.962 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.229 -0.348 . . . . 4.75 112.229 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p 56.74 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.26 1.024 . . . . 2.45 113.134 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -91.66 155.09 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 2.5 109.27 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -122.74 136.48 54.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.322 -0.251 . . . . 2.06 110.322 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 4.3 tp-100 -88.57 118.69 28.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.9 110.058 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -114.86 149.74 36.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.727 -0.842 . . . . 0.83 108.727 177.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HG3' ' OG1' ' A' ' 54' ' ' THR . 10.3 pttt -123.65 161.85 24.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 2.57 111.257 178.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 15.5 tp -141.29 141.72 33.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.022 -0.99 . . . . 0.33 109.724 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.1 mt -121.37 112.36 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.648 -0.871 . . . . 0.62 108.648 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -83.71 102.01 11.96 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.379 -0.6 . . . . 0.25 109.379 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -97.4 82.36 3.11 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 108.224 -1.028 . . . . 1.96 108.224 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.69 121.92 2.14 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 109.959 -1.256 . . . . 0.91 109.959 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -58.8 -13.47 6.22 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.288 0.477 . . . . 3.26 112.288 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -80.98 -38.07 28.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.057 0.456 . . . . 1.93 110.308 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.4 tm? -157.01 117.32 3.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.632 -0.877 . . . . 1.8 108.632 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.1 mppt? -111.6 141.37 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.915 0.388 . . . . 2.49 110.066 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.417 ' C ' ' HG3' ' A' ' 18' ' ' GLU . . . 178.89 -177.72 48.55 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.058 -0.591 . . . . 0.39 111.737 -176.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 17' ' ' GLY . 5.1 mt-10 -143.79 165.77 26.76 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.347 -0.612 . . . . 1.69 109.347 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.52 HG21 ' CE2' ' A' ' 36' ' ' TYR . 13.4 t -169.4 168.64 9.42 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.703 -0.399 . . . . 0.58 111.455 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.422 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 17.6 p -134.29 158.62 43.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.86 -0.609 . . . . 0.38 110.354 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -156.75 151.15 25.38 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.92 -0.4 . . . . 0.38 109.92 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -92.12 130.54 37.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.597 -0.519 . . . . 2.26 109.597 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.0 158.7 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 0.38 109.544 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 m -103.91 6.63 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.306 . . . . 1.09 111.626 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -165.36 160.23 17.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.616 -0.513 . . . . 2.13 109.616 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.29 -46.59 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.355 -0.384 . . . . 0.59 111.386 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -25.05 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.48 110.831 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -75.15 -27.75 59.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 0.46 110.694 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.24 -38.59 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.28 110.117 -177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.5 tt0 -55.07 -59.74 4.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.108 -0.951 . . . . 1.29 110.136 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -51.32 -38.65 54.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.374 -0.83 . . . . 2.42 112.257 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.9 t -75.73 -56.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.747 0.308 . . . . 0.3 111.058 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.445 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -60.8 -24.98 66.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.283 -0.417 . . . . 1.11 112.041 -179.534 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.641 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 32.9 mtpt -70.22 -39.65 74.98 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.053 -0.404 . . . . 1.09 110.721 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.05 -31.04 67.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.772 -0.825 . . . . 2.2 108.772 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.52 ' CE2' HG21 ' A' ' 19' ' ' THR . 20.2 t80 -63.6 -52.83 59.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.881 -1.054 . . . . 1.24 109.954 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . -64.63 -34.8 79.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.37 -0.832 . . . . 0.22 110.3 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.61 -40.4 91.71 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.415 -0.812 . . . . 1.39 111.321 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.02 -27.77 69.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 1.78 111.024 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -95.18 -3.73 47.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 1.78 110.695 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.15 24.31 71.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.02 -0.609 . . . . 0.37 112.469 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 91.1 t -104.92 100.39 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-O 121.254 0.55 . . . . 0.46 110.531 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -133.75 134.85 43.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.543 -0.753 . . . . 1.86 109.527 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.68 -168.97 35.44 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.102 -0.799 . . . . 0.43 111.102 -175.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 141.1 55.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 2.79 110.93 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.641 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.2 m95 -113.5 125.36 54.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.305 0.574 . . . . 0.41 111.552 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.505 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.7 p -124.55 156.04 38.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.569 -0.741 . . . . 0.63 109.854 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -139.39 140.26 37.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.899 -0.32 . . . . 1.18 111.072 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.738 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.9 p30 -117.52 146.34 43.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.798 -0.816 . . . . 2.07 108.798 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.77 -28.28 16.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.524 0.678 . . . . 2.28 109.179 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.46 77.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.98 -1.009 . . . . 0.91 112.546 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.638 HG23 ' OG1' ' A' ' 54' ' ' THR . 15.0 t -130.95 17.21 5.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.92 -0.712 . . . . 1.19 112.292 -178.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 43.45 39.83 2.42 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.418 0.628 . . . . 2.08 110.407 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.738 ' HB ' ' OD1' ' A' ' 49' ' ' ASP . 83.8 m -107.09 125.26 50.83 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.429 -0.805 . . . . 0.51 112.351 -174.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 36.5 m-85 -89.72 130.1 36.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 1.19 109.136 176.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.505 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 9.1 m -119.82 117.01 27.04 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.837 -0.345 . . . . 0.96 110.624 -179.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.1 p -105.57 127.54 60.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.679 -1.23 . . . . 0.3 107.679 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -121.87 115.21 22.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.966 -0.561 . . . . 0.52 111.62 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.96 90.08 0.3 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.901 -1.045 . . . . 2.56 110.925 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.83 108.28 2.26 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.032 -1.08 . . . . 2.32 111.212 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 p -143.9 -67.97 0.33 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.053 -0.351 . . . . 4.41 110.053 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.13 163.48 22.15 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.441 -0.664 . . . . 4.49 111.441 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -117.21 -39.39 0.8 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.688 -0.767 . . . . 6.24 111.53 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.38 94.05 5.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.723 0.297 . . . . 6.29 110.263 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.74 -20.7 74.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.913 -0.585 . . . . 8.41 112.941 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.74 -36.7 61.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.448 -0.882 . . . . 10.44 112.211 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 58.69 -80.64 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.708 0.803 . . . . 12.25 111.806 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.65 -21.68 5.02 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.93 -0.652 . . . . 11.72 112.457 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 67.1 mtt 58.91 31.87 21.71 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.134 0.492 . . . . 14.29 110.658 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.1 mt -132.82 85.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.271 -0.64 . . . . 14.51 109.271 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -106.4 12.3 29.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.372 0.606 . . . . 16.8 109.596 179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.82 132.14 80.83 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.365 -0.834 . . . . 17.64 110.686 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -81.95 -171.42 1.19 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.193 2.595 . . . . 20.1 112.935 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 71.8 106.39 0.07 Allowed 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 114.658 -1.155 . . . . 20.94 111.512 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.62 155.34 38.69 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.4 -0.818 . . . . 22.94 109.817 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.582 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 14.4 Cg_exo -75.07 159.97 40.49 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.126 1.884 . . . . 23.54 110.523 177.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -62.58 129.06 25.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 121.878 1.719 . . . . 25.03 110.974 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.24 -27.55 19.53 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.667 -0.778 . . . . 26.59 113.044 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.582 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 74.4 m95 -90.69 142.05 28.15 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 117.303 0.551 . . . . 26.61 110.987 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.629 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 10.4 tp10 -123.56 146.37 48.17 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.85 -0.426 . . . . 26.95 109.85 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.9 ttt -129.1 128.08 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 25.77 110.387 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -149.98 160.2 43.8 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.173 -0.677 . . . . 28.23 109.173 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -106.43 150.79 25.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.723 0.297 . . . . 29.77 111.303 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.2 p -86.53 -173.7 4.64 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.391 -0.596 . . . . 31.75 109.391 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -85.53 10.95 11.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.944 0.402 . . . . 34.32 111.835 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -120.67 0.18 10.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.177 -0.465 . . . . 35.43 109.776 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.68 18.58 54.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.986 -0.626 . . . . 31.3 112.762 -178.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.1 t -95.77 130.6 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.032 0.444 . . . . 31.86 111.323 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.639 ' HE ' ' HE1' ' A' ' 91' ' ' PHE . 52.7 ttt180 -79.76 116.57 20.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.65 -0.704 . . . . 28.74 110.806 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -121.49 158.7 27.86 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.487 -0.56 . . . . 30.27 109.487 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.639 ' HE1' ' HE ' ' A' ' 89' ' ' ARG . 22.7 m-30 -115.56 155.87 26.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.212 0.529 . . . . 28.69 111.343 -176.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 9.6 t -125.95 104.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.604 -0.725 . . . . 29.13 109.535 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -75.93 122.37 24.06 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.871 -1.159 . . . . 29.7 107.871 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 80' ' ' GLU . 35.1 m80 -81.55 -22.33 37.91 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.509 0.929 . . . . 29.9 113.509 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -79.91 -29.83 39.93 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.247 -0.581 . . . . 31.42 111.229 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.3 p -99.56 -26.96 13.92 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.91 -0.404 . . . . 33.14 109.91 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 67.02 44.09 2.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 122.543 1.163 . . . . 35.29 110.021 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.46 146.47 46.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 112.644 -2.071 . . . . 32.59 109.474 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 p -83.36 112.37 19.85 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.475 -0.565 . . . . 32.77 109.475 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 m -105.16 152.56 22.66 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.973 0.416 . . . . 30.32 110.857 -175.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.63 153.48 17.7 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.74 0.781 . . . . 31.76 111.182 175.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 18.8 ptpt -51.78 157.63 1.15 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.775 -1.557 . . . . 28.42 112.145 -177.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.13 110.61 0.74 Allowed Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 114.566 -1.197 . . . . 27.82 111.886 -177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -69.06 -46.87 1.32 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.31 2.007 . . . . 26.03 111.738 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 105' ' ' ARG . 3.3 mpt_? -112.93 115.11 48.64 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.738 -0.665 . . . . 27.8 109.312 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -50.98 118.79 4.56 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.589 1.526 . . . . 29.2 111.815 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.86 -33.76 4.32 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-O 119.002 -0.888 . . . . 30.61 112.817 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.9 p90 30.59 66.83 0.13 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.569 0.747 . . . . 30.1 112.522 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.722 -0.656 . . . . 32.01 109.591 -177.556 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.447 ' HD2' HG13 ' A' ' 24' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 110.382 -0.229 . . . . 2.5 110.382 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.408 ' HG3' ' CE2' ' A' ' 6' ' ' TYR . 20.3 ptp -119.33 140.58 50.08 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 110.098 -0.334 . . . . 2.06 110.098 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -76.61 144.01 39.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.089 0.471 . . . . 1.9 111.984 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 4' ' ' MET . 38.0 m-85 -135.02 142.3 46.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.254 -0.885 . . . . 0.83 109.076 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HB2' HG23 ' A' ' 54' ' ' THR . 59.7 mttt -106.2 164.4 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.394 0.616 . . . . 2.57 111.465 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' A' ' 33' ' ' PHE . 25.3 tp -146.07 140.02 26.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.763 -1.108 . . . . 0.33 109.868 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.1 mt -127.61 120.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.465 -0.939 . . . . 0.62 108.465 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' A' ' 36' ' ' TYR . 1.1 mm? -95.92 94.73 7.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.518 -0.549 . . . . 0.25 109.518 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.25 87.8 7.53 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.509 -0.922 . . . . 1.96 108.509 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.85 -174.26 14.64 Favored Glycine 0 C--N 1.314 -0.645 0 C-N-CA 120.37 -0.919 . . . . 0.91 111.746 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -95.64 -55.9 2.87 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.795 -0.362 . . . . 3.26 111.768 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 t -99.36 6.92 45.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.369 -0.832 . . . . 1.93 110.009 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.55 101.66 4.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.169 -0.923 . . . . 1.8 109.078 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 22.8 mtmt -135.32 130.6 35.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.355 -0.384 . . . . 2.49 110.0 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.58 178.36 47.12 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.229 -0.748 . . . . 0.39 111.229 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -136.54 158.52 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.236 -0.653 . . . . 1.69 109.236 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 t -156.82 173.4 17.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.563 0.22 . . . . 0.58 110.477 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 p -141.41 148.01 38.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.338 -0.392 . . . . 0.38 110.62 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.406 ' HB ' ' CZ ' ' A' ' 33' ' ' PHE . 3.6 t -141.82 157.93 44.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.979 -0.378 . . . . 0.38 109.979 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.61 130.24 56.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.992 -0.549 . . . . 2.26 110.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.26 166.97 31.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.973 -0.38 . . . . 0.38 109.973 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' ' 3' ' ' HIS . 17.6 m -103.61 -2.47 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.001 0.371 . . . . 1.09 112.001 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -132.13 156.46 46.34 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.49 -0.559 . . . . 2.13 109.49 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.6 23.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.838 -0.431 . . . . 0.59 109.838 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.34 90.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 0.48 110.991 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 m -67.78 -32.07 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.46 110.635 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.25 73.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.776 0.798 . . . . 0.28 109.148 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.26 -62.75 1.36 Allowed 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.386 -1.279 . . . . 1.29 109.439 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -50.59 -42.94 56.43 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.859 -1.064 . . . . 2.42 113.452 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.36 -44.49 90.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.035 0.445 . . . . 0.3 111.181 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.442 ' CG ' HD22 ' A' ' 8' ' ' LEU . 1.5 m-85 -73.18 -21.77 60.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.366 -0.379 . . . . 1.11 111.86 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -68.37 -40.99 81.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.266 -0.642 . . . . 1.09 109.266 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 2.2 109.167 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HE2' HD21 ' A' ' 10' ' ' LEU . 48.7 t80 -69.32 -50.41 46.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.797 . . . . 1.24 110.197 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.21 75.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.737 -0.665 . . . . 0.22 110.33 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -52.09 -51.81 55.34 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.259 -0.882 . . . . 1.39 111.743 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.15 -5.05 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.136 -0.484 . . . . 1.78 111.876 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -108.73 3.3 22.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.102 0.477 . . . . 1.78 110.369 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.39 23.96 76.25 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.655 -0.702 . . . . 0.37 112.948 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.32 118.34 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-O 121.364 0.602 . . . . 0.46 111.701 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -147.49 142.4 26.9 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.294 -1.373 . . . . 1.86 107.294 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -172.03 -170.99 36.58 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.171 -1.014 . . . . 0.43 111.785 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.85 104.15 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.593 . . . . 2.79 109.4 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -75.49 100.66 4.59 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.805 -0.634 . . . . 0.41 111.262 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.426 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 8.6 p -100.04 155.66 17.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.316 -0.856 . . . . 0.63 110.437 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -149.31 144.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.827 -0.349 . . . . 1.18 110.918 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -123.88 131.24 53.55 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 107.984 -1.117 . . . . 2.07 107.984 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -81.25 -15.19 56.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 122.31 -0.244 . . . . 2.28 111.427 -173.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.22 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.839 -0.344 . . . . 0.91 111.906 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.1 p -115.1 -3.68 12.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.832 1.049 . . . . 1.19 113.832 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.54 37.8 19.34 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.489 0.661 . . . . 2.08 110.229 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 7' ' ' LYS . 10.9 m -102.17 111.68 24.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.407 -0.815 . . . . 0.51 111.6 -176.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 23.7 m-85 -85.21 125.04 32.54 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.311 -0.996 . . . . 1.19 108.311 174.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.426 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 26.5 m -117.45 119.54 35.39 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.874 0.369 . . . . 0.96 110.938 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -113.45 106.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.744 0.783 . . . . 0.3 109.252 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.432 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 1.2 m -99.55 125.74 45.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.428 -0.805 . . . . 0.52 110.345 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.944 -0.571 . . . . 2.56 109.971 -178.317 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.499 0.19 . . . . 22.94 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.767 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 37.6 Cg_endo -77.0 157.14 34.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.447 2.098 . . . . 23.54 111.258 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -45.97 130.93 13.56 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.03 2.487 . . . . 25.03 113.172 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.67 4.05 90.46 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 115.146 0.818 . . . . 26.59 115.146 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.767 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 59.5 m95 -107.3 142.72 36.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.78 1.29 . . . . 26.61 111.265 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.611 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 50.3 mt-10 -127.43 132.42 50.08 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.599 -0.519 . . . . 26.95 109.599 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 60.6 ttp -112.33 106.72 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.187 -1.042 . . . . 25.77 108.187 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -133.97 156.99 47.19 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.198 -0.667 . . . . 28.23 109.198 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -112.87 152.5 29.19 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.344 -0.243 . . . . 29.77 110.344 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -79.61 174.16 11.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.514 -0.921 . . . . 31.75 108.514 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 p -73.66 9.56 1.39 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.578 0.585 . . . . 34.32 112.578 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -120.81 0.8 10.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 35.43 109.714 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.84 12.81 60.1 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.599 -0.81 . . . . 31.3 113.438 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.5 t -81.69 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.621 -0.511 . . . . 31.86 109.621 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -91.01 123.63 34.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 28.74 111.535 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -135.58 155.61 50.19 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.885 -0.413 . . . . 30.27 109.885 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -116.27 157.64 24.62 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.949 0.404 . . . . 28.69 110.339 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.611 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 43.9 t -125.06 112.7 32.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.256 -0.429 . . . . 29.13 110.91 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.03 89.33 2.99 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.051 -1.092 . . . . 29.7 108.051 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.7 -11.47 60.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.026 0.441 . . . . 29.9 110.746 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -72.49 -37.28 68.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 31.42 110.286 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 p -112.57 -6.84 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.383 0.611 . . . . 33.14 110.536 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 60.4 73.46 0.48 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 114.817 -1.083 . . . . 35.29 111.139 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -155.54 165.83 35.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.82 -1.536 . . . . 32.59 109.264 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 p -103.51 142.47 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.949 -0.389 . . . . 32.77 109.949 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -146.85 139.74 25.22 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 110.175 -0.305 . . . . 30.32 110.175 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 C--N 1.321 -0.647 0 N-CA-C 109.983 -0.377 . . . . 31.76 109.983 178.147 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 108.801 -0.814 . . . . 2.5 108.801 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.648 ' HG3' ' HE2' ' A' ' 6' ' ' TYR . 18.0 ptp -120.75 132.1 54.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.682 -0.858 . . . . 2.06 108.682 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -92.69 132.85 36.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.169 0.509 . . . . 1.9 111.549 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.648 ' HE2' ' HG3' ' A' ' 4' ' ' MET . 70.6 m-85 -123.54 151.04 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 0.83 109.289 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HB3' HG22 ' A' ' 20' ' ' THR . 14.6 ptmt -123.29 148.49 45.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.128 0.489 . . . . 2.57 110.22 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.7 tp -130.18 131.64 45.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.233 -0.894 . . . . 0.33 110.051 -178.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.61 125.87 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.143 -0.688 . . . . 0.62 109.143 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -95.64 100.58 12.29 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 109.355 -0.609 . . . . 0.25 109.355 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.437 ' CB ' HG23 ' A' ' 58' ' ' THR . 88.9 m-20 -94.54 86.36 4.79 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.418 -0.956 . . . . 1.96 108.418 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.581 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.73 136.65 5.7 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.038 -0.825 . . . . 0.91 111.038 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -58.63 -19.67 41.03 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.247 0.462 . . . . 3.26 112.247 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -94.86 -15.26 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 1.93 111.573 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.24 101.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.8 110.297 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 16.2 mttm -113.83 118.04 33.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.175 -0.466 . . . . 2.49 110.469 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.76 -166.49 37.81 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.886 -0.885 . . . . 0.39 110.886 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -162.66 150.37 13.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.93 0.395 . . . . 1.69 110.285 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -147.93 178.45 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.755 -0.657 . . . . 0.58 110.62 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 7' ' ' LYS . 40.0 p -133.49 156.62 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.585 -0.279 . . . . 0.38 111.539 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -149.8 156.28 41.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.028 -0.533 . . . . 0.38 109.581 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -103.11 135.86 43.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.337 -0.616 . . . . 2.26 109.337 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 4' ' ' MET . . . -146.34 162.57 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.323 -0.621 . . . . 0.38 109.323 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.64 8.44 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.106 -0.371 . . . . 1.09 111.033 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -152.96 159.62 42.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 2.13 110.237 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.03 -42.73 25.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.232 -0.44 . . . . 0.59 111.904 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.06 -32.74 63.43 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.613 0.721 . . . . 0.48 110.292 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.0 m -64.31 -27.13 68.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.985 -1.007 . . . . 0.46 110.513 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.7 67.04 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.117 -0.698 . . . . 0.28 109.117 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 10.1 tt0 -62.41 -59.0 5.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.974 -1.012 . . . . 1.29 109.555 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -49.74 -42.8 47.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.862 -1.063 . . . . 2.42 113.231 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' THR . 84.3 t -70.37 -45.79 73.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.838 0.351 . . . . 0.3 111.184 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.444 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 2.4 m-85 -70.86 -21.34 62.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.741 0.275 . . . . 1.11 111.741 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 29.1 mtpt -69.76 -43.61 71.87 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.97 -0.381 . . . . 1.09 109.97 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -68.78 -27.51 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.862 -0.792 . . . . 2.2 108.862 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 35.2 t80 -69.85 -52.57 23.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.769 -1.105 . . . . 1.24 110.254 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.74 72.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 0.22 110.678 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -67.66 -26.89 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 1.39 109.681 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.88 -30.93 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.782 -0.645 . . . . 1.78 110.738 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -101.28 2.79 40.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.006 0.432 . . . . 1.78 110.433 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.43 60.63 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.37 114.495 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -102.5 112.4 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 117.852 0.826 . . . . 0.46 110.969 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -132.44 109.63 9.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.746 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.64 -168.62 16.27 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.122 -0.561 . . . . 0.43 111.923 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.54 139.68 37.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.303 -0.258 . . . . 2.79 110.303 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.55 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.3 m95 -113.72 99.14 7.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.41 110.771 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 p -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.68 -0.691 . . . . 0.63 109.873 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -153.7 151.24 29.42 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.757 -0.377 . . . . 1.18 111.524 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.99 132.98 38.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 107.677 -1.231 . . . . 2.07 107.677 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.95 -23.1 22.76 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.058 -0.657 . . . . 2.28 111.709 -170.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.81 -25.78 63.01 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.994 -0.282 . . . . 0.91 111.026 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.4 p -116.87 -0.04 12.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.825 0.676 . . . . 1.19 112.825 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 48.94 36.87 9.06 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.109 0.48 . . . . 2.08 111.692 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 m -104.4 115.98 31.32 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.378 0.51 . . . . 0.51 112.378 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 28.1 m-85 -84.92 133.82 34.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.742 -1.207 . . . . 1.19 107.742 171.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.26 118.48 29.66 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.62 -0.432 . . . . 0.96 111.369 -177.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.33 109.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.347 -0.982 . . . . 0.3 108.347 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.437 HG23 ' CB ' ' A' ' 11' ' ' ASN . 1.6 m -111.64 129.57 56.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.429 -0.805 . . . . 0.52 110.929 -175.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.516 -0.766 . . . . 2.56 109.214 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.235 0.304 0 N-CA-C 109.716 -0.476 . . . . 22.94 109.716 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.9 Cg_exo -71.22 160.55 48.62 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 121.833 1.689 . . . . 23.54 110.431 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -60.8 129.69 30.08 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.85 1.7 . . . . 25.03 110.987 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.54 61.28 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 120.468 -0.872 . . . . 26.59 113.94 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.551 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.4 m95 -96.44 126.72 41.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 117.859 0.83 . . . . 26.61 111.306 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 39.8 mt-10 -111.59 149.75 31.03 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.495 -0.557 . . . . 26.95 109.495 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -126.27 117.71 23.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.316 -0.624 . . . . 25.77 109.316 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -143.38 157.49 44.42 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 110.067 -0.345 . . . . 28.23 110.067 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.53 159.69 17.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.872 0.367 . . . . 29.77 111.519 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.5 p -89.84 -168.38 2.12 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.775 -0.824 . . . . 31.75 108.775 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 p -90.46 10.87 23.52 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.878 -0.514 . . . . 34.32 112.056 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -120.23 0.43 10.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.474 0.654 . . . . 35.43 109.589 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.95 2.17 69.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.483 -0.865 . . . . 31.3 111.913 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.46 131.05 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 31.86 109.75 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -97.57 121.4 39.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.012 -0.54 . . . . 28.74 110.601 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.84 153.3 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.713 -0.847 . . . . 30.27 108.713 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -117.23 146.14 43.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.339 -0.544 . . . . 28.69 109.599 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.616 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.9 t -110.97 104.04 16.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.254 -0.43 . . . . 29.13 110.977 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.64 85.58 1.18 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.454 -1.313 . . . . 29.7 107.454 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -72.52 -2.58 20.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.853 0.359 . . . . 29.9 111.349 -174.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -75.01 -27.12 59.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.619 -0.512 . . . . 31.42 109.619 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 p -119.81 -6.64 10.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.102 0.477 . . . . 33.14 109.897 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 65.3 31.67 10.4 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.116 -0.947 . . . . 35.29 110.908 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -106.54 153.2 22.67 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.634 -1.166 . . . . 32.59 110.572 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.1 p -94.88 121.04 36.07 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.487 -0.931 . . . . 32.77 108.487 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.0 t -124.42 157.97 33.87 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.096 0.474 . . . . 30.32 110.796 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 . . . . . 0 C--N 1.319 -0.721 0 N-CA-C 108.968 -0.753 . . . . 31.76 108.968 176.446 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 m170 . . . . . 0 CA--C 1.531 0.246 0 CA-C-O 119.816 -0.135 . . . . 2.5 111.197 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.1 ptm -103.63 136.58 43.08 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.084 -0.71 . . . . 2.06 109.084 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.32 140.01 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.014 0.435 . . . . 1.9 111.895 -176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -122.41 160.6 25.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.546 -0.752 . . . . 0.83 110.366 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.887 ' HD2' HG23 ' A' ' 54' ' ' THR . 5.4 tmtm? -123.56 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.66 -0.7 . . . . 2.57 110.424 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.622 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 17.2 tp -134.2 144.47 48.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.944 0.402 . . . . 0.33 111.352 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.606 HG12 ' HG2' ' A' ' 18' ' ' GLU . 88.6 mt -129.38 127.47 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.296 -0.866 . . . . 0.62 109.118 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.81 102.98 14.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.622 -0.511 . . . . 0.25 109.622 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.418 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 8.8 m120 -96.22 86.42 4.23 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.021 -0.733 . . . . 1.96 109.021 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -153.92 135.53 4.82 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.169 -0.772 . . . . 0.91 111.169 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -55.05 -21.44 12.41 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.393 0.516 . . . . 3.26 112.393 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 p -78.68 -52.75 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.77 0.319 . . . . 1.93 110.592 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 15' ' ' LEU . 1.6 mm? -134.48 104.65 6.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 1.8 111.269 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.9 OUTLIER -105.86 121.42 44.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.484 -0.561 . . . . 2.49 109.484 175.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.06 -173.94 46.05 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.336 -0.705 . . . . 0.39 111.336 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.606 ' HG2' HG12 ' A' ' 9' ' ' ILE . 36.1 mt-10 -139.02 164.89 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.827 0.346 . . . . 1.69 111.227 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -163.96 172.84 13.37 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.952 -0.567 . . . . 0.58 110.539 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p -140.71 155.57 46.43 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.667 0.387 . . . . 0.38 110.001 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -152.71 157.5 40.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.266 -0.272 . . . . 0.38 110.266 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.09 141.34 28.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 2.26 109.73 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.58 147.29 35.64 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.884 -0.326 . . . . 0.38 110.373 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -101.2 7.3 9.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.786 0.327 . . . . 1.09 110.944 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -164.25 159.12 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.449 -0.945 . . . . 2.13 108.449 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.9 67.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.652 0.263 . . . . 0.59 111.469 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.02 73.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 0.48 111.021 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 m -69.34 -29.26 67.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.67 . . . . 0.46 111.157 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.52 74.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.28 110.685 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.2 tt0 -65.93 -55.2 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.58 -0.736 . . . . 1.29 109.792 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -51.45 -43.16 61.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.042 0.756 . . . . 2.42 113.042 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 28' ' ' THR . 83.9 t -69.08 -51.55 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 0.3 111.254 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.547 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.4 m-30 -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.402 -0.363 . . . . 1.11 111.979 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.665 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 25.0 mtpp -72.61 -40.12 66.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.125 -0.324 . . . . 1.09 110.125 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -70.57 -32.03 69.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.861 -0.792 . . . . 2.2 108.861 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.547 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 24.2 t80 -65.98 -51.38 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.912 -1.04 . . . . 1.24 110.162 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . -67.27 -30.04 69.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.355 -0.839 . . . . 0.22 110.088 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.48 -39.25 92.84 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.467 -0.788 . . . . 1.39 110.685 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.88 -26.41 67.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.375 -0.375 . . . . 1.78 111.562 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -102.79 6.39 39.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.929 0.395 . . . . 1.78 110.328 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.24 20.34 67.2 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.614 -0.721 . . . . 0.37 113.065 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.523 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 91.4 t -102.64 105.86 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 121.425 0.631 . . . . 0.46 111.146 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -143.55 140.58 30.31 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.29 -1.004 . . . . 1.86 108.29 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -169.91 -169.58 33.29 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.898 -0.881 . . . . 0.43 110.898 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.74 111.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.043 0.449 . . . . 2.79 110.764 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.665 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.5 m95 -82.06 105.83 13.48 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.706 -0.679 . . . . 0.41 111.21 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.95 157.04 17.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 0.63 109.628 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.436 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 79.0 t80 -146.72 147.09 30.6 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.334 -0.229 . . . . 1.18 111.223 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.6 142.27 47.79 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.864 -0.791 . . . . 2.07 108.864 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.61 -36.47 44.14 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 111.67 0.248 . . . . 2.28 111.67 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -26.6 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.582 0.586 . . . . 0.91 112.582 -175.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -109.68 -15.48 14.14 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.865 1.061 . . . . 1.19 113.865 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 13.5 mptt 60.04 24.32 13.52 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-O 121.85 0.833 . . . . 2.08 109.816 -177.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.887 HG23 ' HD2' ' A' ' 7' ' ' LYS . 39.4 m -89.21 114.9 26.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.733 -1.121 . . . . 0.51 112.047 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.542 ' O ' HD12 ' A' ' 8' ' ' LEU . 84.7 m-85 -83.7 120.89 26.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.144 -1.058 . . . . 1.19 108.144 171.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 m -111.31 118.16 35.11 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.839 0.352 . . . . 0.96 110.206 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.7 p -110.13 113.05 43.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.773 -0.825 . . . . 0.3 108.773 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.497 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 5.7 m -110.04 131.14 55.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.442 -0.799 . . . . 0.52 111.398 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 109.524 -0.547 . . . . 2.56 109.524 177.239 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.231 0.11 0 N-CA-C 107.916 -1.142 . . . . 22.94 107.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.769 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 61.1 Cg_endo -74.51 143.97 31.55 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.289 1.326 . . . . 23.54 110.31 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -41.43 129.79 3.52 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 25.03 113.761 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.13 -15.97 59.8 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.647 -0.787 . . . . 26.59 114.504 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.769 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 72.9 m95 -94.04 147.27 23.29 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.084 0.942 . . . . 26.61 111.379 -177.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.635 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 15.5 tp10 -130.63 145.43 51.9 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.085 -0.709 . . . . 26.95 109.085 177.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -125.42 128.73 48.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.704 -0.225 . . . . 25.77 110.427 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -149.46 153.81 37.87 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.432 -0.581 . . . . 28.23 109.432 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.84 158.5 17.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.075 -0.342 . . . . 29.77 110.075 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.5 p -96.93 174.3 6.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.645 -0.872 . . . . 31.75 108.645 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 p -77.4 8.52 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.403 0.519 . . . . 34.32 112.403 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -119.43 5.27 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 35.43 110.579 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.48 83.3 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.659 -0.782 . . . . 31.3 112.262 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.45 146.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.691 -0.485 . . . . 31.86 109.691 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.39 128.18 55.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.47 -0.332 . . . . 28.74 110.642 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -127.76 155.94 43.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.457 -0.571 . . . . 30.27 109.457 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -117.6 153.61 32.96 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.065 0.459 . . . . 28.69 110.647 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.635 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 43.2 t -127.11 112.96 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 29.13 110.907 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.2 94.44 5.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 29.7 109.178 177.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -74.42 -4.54 37.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.216 0.462 . . . . 29.9 111.275 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.34 -30.77 54.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.076 -0.511 . . . . 31.42 109.867 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 p -115.4 -10.33 12.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.122 -0.49 . . . . 33.14 110.535 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 66.01 42.27 3.36 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.045 0.926 . . . . 35.29 110.006 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -122.23 168.54 11.89 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.272 -1.786 . . . . 32.59 109.984 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -113.56 138.01 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.642 . . . . 32.77 109.265 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 t -143.77 149.52 37.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.302 0.572 . . . . 30.32 111.272 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.763 -0.653 . . . . 31.76 109.435 176.764 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.384 0 N-CA-C 109.943 -0.391 . . . . 2.5 109.943 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.432 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 25.1 mmt -122.33 135.47 54.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.274 -1.01 . . . . 2.06 108.274 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -85.22 99.19 10.94 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.648 -0.421 . . . . 1.9 110.288 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 4' ' ' MET . 96.1 m-85 -91.75 135.74 33.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.05 -0.722 . . . . 0.83 109.05 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HG3' HG23 ' A' ' 54' ' ' THR . 4.5 ptpp? -119.73 148.7 43.08 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.082 -0.508 . . . . 2.57 110.322 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.0 tp -128.19 140.63 51.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 0.33 110.055 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.509 HG12 ' HG2' ' A' ' 18' ' ' GLU . 89.4 mt -120.77 121.92 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 108.634 -0.876 . . . . 0.62 108.634 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -90.07 94.76 9.91 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.443 -0.577 . . . . 0.25 109.443 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.558 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -86.67 84.26 7.43 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.164 -1.05 . . . . 1.96 108.164 179.172 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -135.12 130.25 5.38 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.299 -0.953 . . . . 0.91 111.537 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -50.53 -30.92 14.16 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.655 0.782 . . . . 3.26 112.922 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -81.34 -41.64 21.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.716 -0.393 . . . . 1.93 111.181 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -145.1 126.1 14.53 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 121.244 0.545 . . . . 1.8 109.638 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -121.15 135.53 55.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.613 -0.721 . . . . 2.49 109.067 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.24 -171.25 43.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 0.39 112.372 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.509 ' HG2' HG12 ' A' ' 9' ' ' ILE . 22.8 mt-10 -130.12 171.33 12.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.69 111.272 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.518 HG21 ' CE1' ' A' ' 36' ' ' TYR . 15.0 t -168.28 155.29 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.052 -0.976 . . . . 0.58 108.813 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.1 p -132.8 159.23 40.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.891 0.377 . . . . 0.38 111.421 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -159.91 155.86 26.31 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.096 -0.705 . . . . 0.38 109.096 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.72 130.04 48.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.863 0.363 . . . . 2.26 110.224 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.94 157.26 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.83 -0.433 . . . . 0.38 109.83 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.7 m -94.68 -1.36 10.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 1.09 111.602 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -154.46 157.69 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.505 -0.316 . . . . 2.13 110.439 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -77.61 -42.82 33.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.828 -0.624 . . . . 0.59 111.466 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -67.68 -30.26 69.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.406 0.622 . . . . 0.48 110.117 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 m -73.08 -28.43 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.954 -1.021 . . . . 0.46 110.702 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.17 60.86 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.208 -0.664 . . . . 0.28 109.208 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 9.8 tt0 -50.87 -59.99 3.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.703 -1.135 . . . . 1.29 110.231 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 64.6 mmtt -49.74 -43.9 48.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.248 -0.887 . . . . 2.42 112.51 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.59 -46.62 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.3 111.125 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.442 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.6 m-85 -69.09 -20.17 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.844 0.313 . . . . 1.11 111.844 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.628 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 34.1 mtpt -72.67 -42.63 64.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.967 -0.382 . . . . 1.09 109.967 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -67.09 -30.27 70.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.761 -0.829 . . . . 2.2 108.761 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CE1' HG21 ' A' ' 19' ' ' THR . 47.7 t80 -67.88 -52.52 35.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.455 -0.793 . . . . 1.24 110.358 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.41 84.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.066 0.46 . . . . 0.22 109.777 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.41 -45.2 80.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.122 -0.944 . . . . 1.39 110.67 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -73.73 -19.76 60.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.451 -0.795 . . . . 1.78 110.775 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.32 -11.89 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 1.78 110.918 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.97 60.55 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.825 -0.625 . . . . 0.37 112.955 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.51 129.44 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 120.936 0.398 . . . . 0.46 110.905 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -150.18 99.14 2.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.471 -0.786 . . . . 1.86 109.534 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -151.25 -168.4 15.78 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 121.317 -0.468 . . . . 0.43 112.064 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.9 mm-40 -54.32 150.6 8.47 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.858 0.387 . . . . 2.79 110.955 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.628 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 8.9 m95 -126.22 112.75 16.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.284 -0.416 . . . . 0.41 111.409 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.76 153.81 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.466 -0.334 . . . . 0.63 110.806 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 37.6 t80 -135.09 149.6 50.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.695 0.283 . . . . 1.18 111.344 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -129.66 131.43 46.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.782 -1.192 . . . . 2.07 107.782 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.71 -9.08 55.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.633 0.254 . . . . 2.28 111.638 -171.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.771 -0.372 . . . . 0.91 111.541 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.9 p -121.91 5.37 9.9 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.981 0.734 . . . . 1.19 112.981 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 53.74 49.6 18.87 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.087 0.47 . . . . 2.08 110.543 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.403 HG23 ' HG3' ' A' ' 7' ' ' LYS . 7.0 m -116.87 124.44 49.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.387 -0.37 . . . . 0.51 111.696 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.48 ' OH ' ' HB1' ' A' ' 26' ' ' ALA . 21.6 m-85 -98.23 136.71 38.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.799 -0.815 . . . . 1.19 108.799 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.39 127.12 53.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.612 -0.267 . . . . 0.96 111.286 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 14.6 p -121.17 103.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.662 -0.866 . . . . 0.3 108.662 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.573 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 25.3 m -103.34 129.29 50.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.108 -0.951 . . . . 0.52 111.411 -176.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 2.56 110.119 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 118.905 -0.569 . . . . 22.94 109.541 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 87.8 Cg_exo -53.57 145.93 45.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 121.304 1.336 . . . . 23.54 111.799 176.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 76' ' ' PRO . 42.9 Cg_exo -45.56 125.95 8.18 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.783 2.989 . . . . 25.03 113.761 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.46 -10.69 54.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 115.664 -0.698 . . . . 26.59 114.556 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -95.62 134.92 37.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 118.257 1.029 . . . . 26.61 110.979 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.466 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 40.6 tt0 -116.53 153.13 32.73 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.511 -0.551 . . . . 26.95 109.511 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -135.54 135.18 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.77 109.35 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.925 ' HE2' HG21 ' A' ' 92' ' ' VAL . 18.3 pttt -161.73 158.76 26.32 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.906 -0.776 . . . . 28.23 108.906 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -103.13 157.1 17.23 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.868 0.366 . . . . 29.77 111.504 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.9 p -83.2 -172.65 4.26 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.297 -0.631 . . . . 31.75 109.297 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 p -83.98 12.1 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.915 0.388 . . . . 34.32 111.852 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -121.09 -1.45 9.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.425 -0.583 . . . . 35.43 109.425 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.91 6.46 69.63 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.733 -0.746 . . . . 31.3 112.295 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.36 138.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.757 0.313 . . . . 31.86 110.511 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 -90.55 133.06 35.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 28.74 110.857 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -139.67 155.62 47.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.83 -0.433 . . . . 30.27 109.83 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -113.44 151.95 30.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.884 -0.413 . . . . 28.69 109.884 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.925 HG21 ' HE2' ' A' ' 82' ' ' LYS . 18.5 t -119.15 128.45 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 29.13 111.494 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.78 129.84 40.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.195 -1.039 . . . . 29.7 108.195 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -83.24 -22.91 32.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.415 0.524 . . . . 29.9 112.415 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.545 ' ND2' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -82.14 -37.07 26.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.888 -0.325 . . . . 31.42 111.529 -174.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.545 HG23 ' ND2' ' A' ' 95' ' ' ASN . 17.0 p -97.86 -17.09 19.49 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.224 -0.297 . . . . 33.14 111.437 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 57.5 71.04 0.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.049 0.928 . . . . 35.29 109.939 -175.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 t -143.7 169.92 16.83 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.37 -1.286 . . . . 32.59 109.704 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 p -118.64 123.02 43.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.881 -0.414 . . . . 32.77 109.881 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -130.86 158.13 41.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.819 -0.551 . . . . 30.32 110.32 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 116.425 -0.352 . . . . 31.76 110.722 -179.284 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 109.734 -0.469 . . . . 2.5 109.734 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.8 mtp -114.0 137.13 52.12 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.379 -0.601 . . . . 2.06 109.379 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.03 117.94 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.143 0.497 . . . . 1.9 111.35 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 56.1 m-85 -113.73 136.51 52.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.364 -0.976 . . . . 0.83 108.364 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HB3' HG22 ' A' ' 20' ' ' THR . 7.1 ptmm? -118.06 152.99 34.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.216 0.531 . . . . 2.57 111.874 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 55' ' ' TYR . 26.9 tp -126.96 146.33 50.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.083 -0.962 . . . . 0.33 110.306 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.871 HG12 ' HG2' ' A' ' 18' ' ' GLU . 91.0 mt -127.35 118.67 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.063 -0.717 . . . . 0.62 109.063 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -91.88 108.89 20.24 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.476 -0.565 . . . . 0.25 109.476 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 58' ' ' THR . 14.4 t-20 -104.68 86.61 2.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.459 -0.571 . . . . 1.96 109.459 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.53 -158.55 9.91 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.91 111.215 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 34.0 mtpt -91.8 -59.3 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.414 0.524 . . . . 3.26 112.414 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -97.23 -12.52 22.89 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.645 -0.659 . . . . 1.93 111.533 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 40' ' ' ASN . 20.0 mt -115.7 98.03 6.46 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.255 0.55 . . . . 1.8 109.89 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -133.54 115.94 15.33 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.14 -0.936 . . . . 2.49 109.658 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.38 -172.1 44.5 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.483 -1.047 . . . . 0.39 110.483 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.871 ' HG2' HG12 ' A' ' 9' ' ' ILE . 3.3 mt-10 -135.69 170.09 16.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.154 0.502 . . . . 1.69 111.061 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -160.93 168.99 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 0.58 109.191 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.524 HG22 ' HB3' ' A' ' 7' ' ' LYS . 9.2 p -142.14 153.66 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 0.38 112.092 -177.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -154.82 156.74 36.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.972 -0.751 . . . . 0.38 108.972 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -105.91 123.83 48.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.891 0.377 . . . . 2.26 110.458 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.57 157.96 44.93 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.808 -0.441 . . . . 0.38 109.808 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.2 m -98.23 7.28 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 1.09 111.387 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -155.11 157.85 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 2.13 111.253 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.94 23.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.804 -0.634 . . . . 0.59 111.354 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.65 76.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.647 0.737 . . . . 0.48 109.531 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -67.18 -30.12 69.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.953 -1.021 . . . . 0.46 110.876 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.82 -37.18 56.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.515 -0.55 . . . . 0.28 109.515 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.19 -62.14 2.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.077 -0.965 . . . . 1.29 110.142 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.11 -43.78 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.243 0.831 . . . . 2.42 113.243 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.79 -49.32 65.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.025 -0.27 . . . . 0.3 111.068 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.08 -21.32 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.522 -0.308 . . . . 1.11 111.422 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.12 -43.33 87.48 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.68 -0.489 . . . . 1.09 109.68 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -70.6 -30.99 67.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.351 -0.611 . . . . 2.2 109.351 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.88 -48.49 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.489 -0.778 . . . . 1.24 110.184 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.21 -38.89 68.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.961 -0.563 . . . . 0.22 110.526 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -58.21 -42.91 87.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.485 -0.779 . . . . 1.39 110.65 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -18.72 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 1.78 111.319 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.401 ' HB3' HD13 ' A' ' 15' ' ' LEU . 36.2 m-80 -99.37 -8.5 24.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.654 0.264 . . . . 1.78 110.808 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.28 27.17 28.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.686 -0.768 . . . . 0.37 112.975 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.28 119.43 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.171 0.51 . . . . 0.46 110.892 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -144.8 145.71 31.77 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.429 -0.952 . . . . 1.86 108.429 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 177.71 -169.53 41.57 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.754 -0.736 . . . . 0.43 111.469 -176.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.92 136.41 57.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.092 -0.336 . . . . 2.79 110.092 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HD1' ' O ' ' A' ' 44' ' ' GLY . 8.0 m95 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.191 0.52 . . . . 0.41 110.893 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -112.94 146.87 38.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.604 -0.726 . . . . 0.63 109.889 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.769 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 24.8 t80 -130.4 130.11 43.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.698 0.285 . . . . 1.18 111.092 -176.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.68 103.93 12.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.477 -1.305 . . . . 2.07 107.477 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -68.12 -22.67 64.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.589 0.218 . . . . 2.28 111.589 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.3 -33.28 69.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.763 0.316 . . . . 0.91 111.082 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.8 p -106.9 -3.29 20.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.247 0.462 . . . . 1.19 112.247 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 6' ' ' TYR . 71.3 mmtt 52.48 49.87 19.5 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.759 0.79 . . . . 2.08 110.333 -177.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -125.04 130.6 52.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.902 -1.045 . . . . 0.51 111.471 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.769 ' CE2' ' HB2' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -100.94 131.21 46.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.348 -0.982 . . . . 1.19 108.348 172.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.3 m -116.35 120.99 40.62 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.861 -0.335 . . . . 0.96 111.062 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -106.12 110.74 32.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 108.562 -0.903 . . . . 0.3 108.562 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.457 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 13.6 m -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.595 -0.729 . . . . 0.52 111.029 -176.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 107.95 -1.13 . . . . 2.56 107.95 178.424 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.426 ' N ' HD22 ' A' ' 75' ' ' LEU . 2.9 mm? . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.336 -0.246 . . . . 22.94 110.336 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -65.28 153.6 77.47 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.164 1.91 . . . . 23.54 111.112 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -46.88 124.13 8.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.653 2.236 . . . . 25.03 111.783 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.6 27.74 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.311 -0.947 . . . . 26.59 113.475 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -93.36 131.7 38.27 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.694 0.747 . . . . 26.61 110.539 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.448 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 45.7 mt-10 -123.73 143.81 50.06 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.728 -0.471 . . . . 26.95 109.728 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -117.41 127.89 54.47 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.471 -0.566 . . . . 25.77 109.471 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -143.91 157.34 44.42 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.428 -0.582 . . . . 28.23 109.428 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -109.56 151.16 27.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.031 -0.359 . . . . 29.77 110.031 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -80.9 -170.01 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 31.75 109.476 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 p -85.19 8.18 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.216 0.531 . . . . 34.32 111.471 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -121.1 0.82 10.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.446 0.641 . . . . 35.43 109.569 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.31 10.34 74.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.585 -0.816 . . . . 31.3 112.256 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.3 t -80.87 140.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.794 -0.447 . . . . 31.86 109.794 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -93.49 130.47 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.907 -0.588 . . . . 28.74 111.46 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -141.74 158.43 43.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.415 -0.587 . . . . 30.27 109.415 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -114.5 155.35 26.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.257 0.551 . . . . 28.69 111.341 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 57.6 t -127.08 122.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 29.13 111.167 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 98.32 10.52 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.377 -0.971 . . . . 29.7 108.377 175.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -72.86 -16.17 61.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.909 0.385 . . . . 29.9 110.665 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -75.89 -39.36 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.513 . . . . 31.42 111.145 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.8 p -104.6 -10.57 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 33.14 111.029 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 62.97 56.7 1.77 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 122.024 0.916 . . . . 35.29 110.764 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.2 p -139.83 157.88 45.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.788 -1.551 . . . . 32.59 110.049 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 p -98.15 147.92 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.076 -0.342 . . . . 32.77 110.076 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 t -145.81 153.3 40.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.408 -0.59 . . . . 30.32 109.408 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.32 -0.69 0 C-N-CA 120.593 -0.443 . . . . 31.76 110.271 -176.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 109.127 -0.694 . . . . 2.5 109.127 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.1 mtp -112.15 138.54 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.041 -0.355 . . . . 2.06 110.041 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -80.3 126.21 30.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 1.9 110.836 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -119.93 146.49 45.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.306 -0.998 . . . . 0.83 108.306 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.635 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.68 151.58 44.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.837 0.351 . . . . 2.57 111.358 -176.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 19.1 tp -128.95 144.55 51.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 0.33 110.26 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.721 HG12 ' HG2' ' A' ' 18' ' ' GLU . 71.1 mt -126.89 117.55 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.862 -0.608 . . . . 0.62 109.438 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.454 HD21 ' HE2' ' A' ' 36' ' ' TYR . 1.1 mm? -90.67 110.5 21.67 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.1 -0.704 . . . . 0.25 109.1 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -107.92 87.37 2.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.737 -0.838 . . . . 1.96 108.737 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -158.82 8.95 Favored Glycine 0 CA--C 1.506 -0.494 0 CA-C-N 115.462 -0.79 . . . . 0.91 111.592 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -94.67 -59.83 1.84 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.511 0.56 . . . . 3.26 112.511 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.3 1.03 54.32 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.555 0.693 . . . . 1.93 110.1 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.72 98.98 4.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.411 -0.813 . . . . 1.8 109.251 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -132.09 116.37 16.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.235 -0.893 . . . . 2.49 108.962 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.82 -170.93 43.44 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.254 -0.974 . . . . 0.39 111.855 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.721 ' HG2' HG12 ' A' ' 9' ' ' ILE . 33.6 mt-10 -136.99 167.89 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.282 . . . . 1.69 110.465 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -167.0 158.54 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.359 -0.608 . . . . 0.58 109.359 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.6 p -131.88 158.39 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 0.38 111.701 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -160.2 157.22 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.88 -0.785 . . . . 0.38 108.88 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -97.57 145.55 26.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.748 0.308 . . . . 2.26 110.301 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.84 158.01 34.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.923 -0.769 . . . . 0.38 108.923 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 m -95.05 -11.03 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.399 -0.52 . . . . 1.09 112.27 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.7 156.54 45.04 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.109 -0.33 . . . . 2.13 110.109 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.871 0.367 . . . . 0.59 110.881 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.01 -28.71 68.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.48 111.168 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -75.64 -28.35 58.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 0.46 110.982 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.29 71.83 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.379 0.609 . . . . 0.28 109.471 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -56.67 -65.42 0.62 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.82 -1.082 . . . . 1.29 110.08 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -48.08 -41.4 26.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.639 -1.164 . . . . 2.42 113.212 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.03 -48.12 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.961 0.41 . . . . 0.3 110.777 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.63 -20.55 64.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.11 111.418 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -66.09 -39.9 90.37 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.086 0.47 . . . . 1.09 109.875 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -72.7 -32.6 65.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 2.2 108.754 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.454 ' HE2' HD21 ' A' ' 10' ' ' LEU . 56.4 t80 -65.45 -52.65 51.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 1.24 110.553 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.76 74.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 0.22 110.152 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -63.91 -39.3 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.89 -0.595 . . . . 1.39 110.397 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.3 -27.37 67.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.001 -0.545 . . . . 1.78 111.086 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -93.36 -5.63 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.185 0.517 . . . . 1.78 110.636 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 14.73 77.27 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.783 -0.644 . . . . 0.37 113.596 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.94 123.18 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 117.303 0.552 . . . . 0.46 111.023 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -141.63 137.24 31.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.634 -0.712 . . . . 1.86 109.7 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.81 -170.15 41.9 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.925 -0.87 . . . . 0.43 110.925 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.51 147.57 52.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.978 0.389 . . . . 2.79 110.481 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -112.41 116.28 30.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.71 -0.677 . . . . 0.41 110.918 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.5 p -107.27 157.49 17.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.049 -0.523 . . . . 0.63 110.335 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -146.78 142.25 27.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 1.18 110.58 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -122.2 138.98 54.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.822 -1.177 . . . . 2.07 107.822 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.48 -30.84 21.7 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.529 -0.468 . . . . 2.28 111.419 -173.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.68 68.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.506 -0.315 . . . . 0.91 111.346 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.506 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 19.5 p -110.92 -17.48 13.3 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.812 1.042 . . . . 1.19 113.812 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 65.96 13.87 9.29 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.099 0.476 . . . . 2.08 110.911 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.63 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 11.5 m -77.42 123.52 26.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.51 112.031 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 15.9 m-85 -96.61 135.64 38.23 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.158 -1.053 . . . . 1.19 108.158 172.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.48 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 85.0 m -129.37 129.77 45.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 0.96 111.581 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.43 113.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.688 -0.856 . . . . 0.3 108.688 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -102.22 125.21 48.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.735 -0.666 . . . . 0.52 111.091 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 CA-C-N 116.005 -0.543 . . . . 2.56 110.78 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 109.207 -0.664 . . . . 22.94 109.207 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -52.12 153.39 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.79 1.66 . . . . 23.54 111.88 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -62.36 131.01 32.19 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.064 1.843 . . . . 25.03 111.229 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.56 -22.64 32.09 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.537 -0.84 . . . . 26.59 112.808 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -93.38 141.07 28.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.072 0.436 . . . . 26.61 110.61 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.674 ' HG2' ' HE2' ' A' ' 82' ' ' LYS . 6.8 tp10 -134.07 149.27 51.13 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.531 -0.544 . . . . 26.95 109.531 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -129.26 123.53 32.17 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.543 -0.299 . . . . 25.77 110.355 -177.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.674 ' HE2' ' HG2' ' A' ' 80' ' ' GLU . 63.2 mttm -146.11 157.34 43.84 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.003 -0.74 . . . . 28.23 109.003 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.68 150.92 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.23 -0.285 . . . . 29.77 110.23 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.1 p -78.58 -174.64 3.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.652 -0.499 . . . . 31.75 109.652 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.29 87.67 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.958 0.355 . . . . 34.32 111.958 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.72 7.27 24.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.828 0.347 . . . . 35.43 110.951 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.57 25.92 57.75 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.506 -0.854 . . . . 31.3 113.412 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.41 138.4 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.131 -0.692 . . . . 31.86 109.131 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -84.66 122.22 28.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.197 -0.456 . . . . 28.74 112.151 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -133.48 156.27 48.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.837 -0.801 . . . . 30.27 108.837 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -116.59 149.94 38.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 28.69 110.789 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 56.2 t -113.98 107.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 29.13 110.983 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.24 96.3 5.2 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.091 -0.707 . . . . 29.7 109.091 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -73.64 -14.72 61.22 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.319 -0.552 . . . . 29.9 110.961 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -75.07 -35.73 61.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 31.42 111.467 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 p -113.69 -1.97 13.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.072 0.463 . . . . 33.14 110.878 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 59.15 74.27 0.45 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.058 -0.974 . . . . 35.29 111.268 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 t -160.94 177.84 9.98 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.476 -1.238 . . . . 32.59 110.605 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.6 p -123.65 145.23 49.1 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.104 -0.702 . . . . 32.77 109.104 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 t -150.57 158.43 44.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.918 -0.489 . . . . 30.32 111.325 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 . . . . . 0 C--N 1.322 -0.623 0 CA-C-N 115.681 -0.69 . . . . 31.76 110.668 179.504 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.152 -0.314 . . . . 2.5 110.152 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 ptp -129.84 134.52 47.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.141 -1.059 . . . . 2.06 108.141 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -70.39 133.7 47.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 1.9 112.225 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -130.27 143.44 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.694 -0.854 . . . . 0.83 108.694 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.716 ' HB3' HG22 ' A' ' 20' ' ' THR . 5.2 ptpp? -133.01 156.64 46.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.017 0.437 . . . . 2.57 111.649 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.579 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 9.6 tp -132.73 137.1 46.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.155 -0.93 . . . . 0.33 109.449 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -116.25 121.59 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 0.62 108.865 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -89.49 108.84 19.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.411 -0.588 . . . . 0.25 109.411 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.659 ' CB ' HG23 ' A' ' 58' ' ' THR . 7.9 m120 -102.15 86.84 2.93 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.298 -0.865 . . . . 1.96 108.879 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.589 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -154.72 142.11 8.74 Favored Glycine 0 N--CA 1.438 -1.198 0 C-N-CA 119.91 -1.138 . . . . 0.91 111.928 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 mtpp -52.72 -27.88 19.54 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 123.947 0.899 . . . . 3.26 112.524 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.5 m -91.0 -26.48 19.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.742 0.306 . . . . 1.93 111.335 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -147.57 102.56 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 1.8 111.226 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 2.6 mptt -114.13 119.8 38.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.905 -0.776 . . . . 2.49 108.905 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.97 -167.35 38.61 Favored Glycine 0 CA--C 1.499 -0.945 0 N-CA-C 111.365 -0.694 . . . . 0.39 111.365 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -164.02 156.33 17.17 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.711 0.291 . . . . 1.69 110.362 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.1 t -152.1 172.24 16.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 0.58 109.63 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.716 HG22 ' HB3' ' A' ' 7' ' ' LYS . 20.1 p -132.5 157.81 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 0.38 111.951 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -150.92 148.4 28.37 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.777 -0.647 . . . . 0.38 109.409 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -96.5 104.02 15.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.832 -0.433 . . . . 2.26 109.832 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.14 158.38 17.47 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.571 -0.451 . . . . 0.38 110.446 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.02 7.15 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.538 0.209 . . . . 1.09 111.388 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -159.72 166.96 29.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.985 -0.746 . . . . 2.13 108.985 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.92 -57.85 3.54 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.951 0.352 . . . . 0.59 111.951 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -24.6 64.64 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.838 0.31 . . . . 0.48 111.838 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -67.21 -28.43 68.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.909 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -35.84 63.76 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.99 0.424 . . . . 0.28 110.148 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 7.1 tt0 -62.58 -60.26 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.408 -0.815 . . . . 1.29 109.965 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.61 -41.4 30.8 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.242 -0.89 . . . . 2.42 113.117 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.79 -50.44 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 122.265 -0.272 . . . . 0.3 111.36 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 4.3 m-85 -64.06 -22.0 66.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.577 0.214 . . . . 1.11 111.577 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.2 mtpt -70.51 -41.18 72.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.989 0.423 . . . . 1.09 109.908 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -65.61 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.882 -0.785 . . . . 2.2 108.882 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.414 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 34.1 t80 -65.13 -53.09 50.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.92 -1.037 . . . . 1.24 110.787 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.5 -30.06 70.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.16 0.505 . . . . 0.22 110.729 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -65.31 -25.29 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 1.39 110.853 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.19 -31.28 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.305 0.483 . . . . 1.78 112.305 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -92.75 -6.15 49.68 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.216 -0.594 . . . . 1.78 110.883 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.86 32.9 48.05 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.773 -0.648 . . . . 0.37 113.586 176.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.65 120.85 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.091 0.472 . . . . 0.46 110.319 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.06 138.54 46.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.81 -0.632 . . . . 1.86 109.763 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.26 -170.43 42.04 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.035 -0.826 . . . . 0.43 111.035 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.65 143.17 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.563 0.22 . . . . 2.79 110.434 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.595 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.5 m95 -110.55 101.32 10.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.382 0.611 . . . . 0.41 110.463 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 12.1 p -103.89 160.16 15.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 0.63 110.787 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -147.94 142.85 26.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.693 0.282 . . . . 1.18 110.841 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.75 144.54 50.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.449 -0.945 . . . . 2.07 108.449 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -90.16 -20.79 22.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.625 -0.43 . . . . 2.28 111.303 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.96 73.61 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.062 -0.255 . . . . 0.91 111.655 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.6 p -118.44 4.3 11.79 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.758 0.651 . . . . 1.19 112.758 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.93 47.34 23.35 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.533 0.682 . . . . 2.08 110.063 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -112.02 121.89 46.25 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.549 -0.751 . . . . 0.51 112.218 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 48.9 m-85 -87.94 130.54 34.9 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.763 -1.569 . . . . 1.19 106.763 171.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.48 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 30.6 m -125.38 126.02 44.34 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.851 -0.531 . . . . 0.96 111.605 -177.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.66 114.64 47.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.432 -0.951 . . . . 0.3 108.432 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.659 HG23 ' CB ' ' A' ' 11' ' ' ASN . 1.2 m -118.75 128.5 54.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 0.52 111.773 -174.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.7 . . . . 2.56 109.485 177.677 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 79' ' ' TRP . 4.4 mm? . . . . . 0 C--O 1.235 0.308 0 CA-C-O 119.833 -0.127 . . . . 22.94 110.831 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 75' ' ' LEU . 32.0 Cg_exo -65.5 159.55 47.28 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.33 2.02 . . . . 23.54 110.429 175.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.79 128.78 26.71 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.819 1.679 . . . . 25.03 111.09 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.93 -29.34 12.71 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.631 -0.795 . . . . 26.59 112.622 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.503 ' HB3' HD12 ' A' ' 75' ' ' LEU . 77.6 m95 -88.13 122.1 31.3 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.319 0.56 . . . . 26.61 109.954 177.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.6 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 23.7 mt-10 -110.56 149.5 30.3 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.482 -0.487 . . . . 26.95 110.977 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.477 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . 7.8 ttt -121.1 126.39 49.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 25.77 110.318 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.436 ' NZ ' HG21 ' A' ' 92' ' ' VAL . 45.4 mttp -143.18 158.08 43.94 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.307 -0.627 . . . . 28.23 109.307 -176.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -110.58 162.06 15.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.069 0.461 . . . . 29.77 111.979 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 p -103.28 176.05 5.27 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.632 -1.248 . . . . 31.75 107.632 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 p -80.85 8.06 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.889 -0.507 . . . . 34.32 112.332 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -109.75 -0.3 18.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.332 -0.618 . . . . 35.43 109.332 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.82 7.35 68.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.685 -0.688 . . . . 31.3 112.093 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.3 t -81.93 140.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.046 0.45 . . . . 31.86 110.925 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 28.74 110.763 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -122.45 156.07 34.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.308 -0.627 . . . . 30.27 109.308 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 81' ' ' MET . 86.1 m-85 -120.86 153.54 37.01 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.459 0.647 . . . . 28.69 111.396 -176.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.6 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 48.5 t -117.96 103.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.785 -1.098 . . . . 29.13 110.167 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.61 124.64 28.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.395 -1.335 . . . . 29.7 107.395 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -87.97 -12.38 44.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.41 0.893 . . . . 29.9 113.41 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -89.14 -36.7 15.56 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.618 -0.833 . . . . 31.42 111.332 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.5 p -90.07 -19.0 24.87 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.065 -0.397 . . . . 33.14 110.083 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 60.4 43.54 13.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.465 1.126 . . . . 35.29 109.445 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 m -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 113.077 -1.874 . . . . 32.59 108.995 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -88.21 143.14 27.22 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.128 0.422 . . . . 32.77 110.574 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.0 t -151.09 155.08 38.21 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.804 0.335 . . . . 30.32 110.691 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 C--N 1.326 -0.419 0 N-CA-C 109.366 -0.605 . . . . 31.76 109.366 177.671 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 109.765 -0.457 . . . . 2.5 109.765 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.7 mtp -102.23 138.76 38.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.861 -0.335 . . . . 2.06 110.208 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.81 118.32 23.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.279 -0.419 . . . . 1.9 110.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.93 152.57 20.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.83 109.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HB3' HG23 ' A' ' 54' ' ' THR . 79.2 tttt -117.12 136.29 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.01 -0.541 . . . . 2.57 110.292 -178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -118.98 141.8 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.575 -0.45 . . . . 0.33 110.35 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -123.86 113.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.943 -0.762 . . . . 0.62 108.943 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.2 mm? -87.32 109.52 19.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.563 -0.903 . . . . 0.25 108.563 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -103.74 87.75 2.89 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.962 -0.755 . . . . 1.96 108.962 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.17 -173.26 13.82 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.005 -1.093 . . . . 0.91 113.432 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HG2' ' H ' ' A' ' 13' ' ' LYS . 8.2 pttp -80.42 -60.37 2.35 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.326 -0.437 . . . . 3.26 112.103 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -94.05 -25.83 17.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.815 0.341 . . . . 1.93 110.632 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -120.49 106.25 11.63 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.395 -0.366 . . . . 1.8 111.875 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.85 137.96 45.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.438 -0.949 . . . . 2.49 108.438 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.43 -162.25 30.11 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.79 -0.719 . . . . 0.39 111.659 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.32 164.36 28.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 1.69 110.502 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 36' ' ' TYR . 8.9 t -161.75 168.37 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.93 -0.767 . . . . 0.58 108.93 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.6 p -137.62 152.8 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.53 0.205 . . . . 0.38 111.287 -176.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 t -154.58 156.21 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.395 -0.595 . . . . 0.38 109.395 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.6 139.76 34.79 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.833 -0.432 . . . . 2.26 109.833 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.46 151.64 29.19 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.16 -0.311 . . . . 0.38 110.16 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -97.02 -8.55 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.662 0.268 . . . . 1.09 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -137.47 158.78 43.67 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.453 -0.573 . . . . 2.13 109.453 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.79 -44.13 51.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.582 -0.525 . . . . 0.59 109.582 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.57 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -58.87 -40.86 85.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.5 -0.773 . . . . 0.48 111.008 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -67.9 -28.16 67.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 0.46 111.597 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.63 -38.17 67.82 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.294 0.569 . . . . 0.28 109.537 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 26.6 tt0 -60.02 -55.75 30.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.781 -1.1 . . . . 1.29 109.722 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.5 mmtp -50.11 -44.87 52.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.349 -0.841 . . . . 2.42 112.622 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -71.38 -48.15 55.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.078 0.466 . . . . 0.3 111.137 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.71 -22.38 65.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.789 -0.641 . . . . 1.11 111.77 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.7 mtpp -71.1 -41.48 70.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.916 -0.401 . . . . 1.09 109.916 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.41 -33.87 76.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.291 -0.633 . . . . 2.2 109.291 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.464 ' HE2' HD21 ' A' ' 10' ' ' LEU . 47.6 t80 -64.43 -50.25 68.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.631 -0.713 . . . . 1.24 110.554 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 0.22 109.949 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.17 -45.74 90.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 1.39 110.758 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.28 -23.94 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.78 111.261 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -88.94 -18.41 27.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 1.78 110.851 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.44 16.21 55.67 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.857 -0.687 . . . . 0.37 112.714 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.43 122.28 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 120.976 0.417 . . . . 0.46 110.42 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -144.66 139.46 28.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 1.86 109.705 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.62 -170.82 42.94 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.72 -0.952 . . . . 0.43 110.72 -176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.46 150.15 32.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.891 0.345 . . . . 2.79 110.343 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.64 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.1 m95 -114.12 107.71 16.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 0.41 111.482 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 p -100.9 154.92 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 0.63 110.176 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -156.19 154.47 30.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.18 110.692 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -134.2 138.68 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.003 -0.74 . . . . 2.07 109.003 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.597 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 36.7 t70 -90.39 5.0 49.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 2.28 111.341 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.47 -40.15 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.843 -0.536 . . . . 0.91 111.709 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -113.46 -3.35 13.72 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.296 0.85 . . . . 1.19 113.296 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER 61.28 29.17 18.52 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.035 0.445 . . . . 2.08 110.407 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.404 HG23 ' HB3' ' A' ' 7' ' ' LYS . 2.4 m -97.32 123.9 41.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.445 -0.343 . . . . 0.51 111.284 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.96 149.48 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.269 -0.641 . . . . 1.19 109.269 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.5 m -142.07 126.59 17.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.045 0.45 . . . . 0.96 111.309 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -106.12 112.9 41.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.155 -1.054 . . . . 0.3 108.155 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -104.31 126.36 51.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.601 -0.727 . . . . 0.52 112.004 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.315 -0.994 . . . . 2.56 108.315 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 CA--C 1.531 0.222 0 N-CA-C 110.057 -0.349 . . . . 22.94 110.057 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 16.5 Cg_exo -71.19 154.37 61.93 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.15 1.9 . . . . 23.54 111.146 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -49.88 124.37 12.4 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.915 2.41 . . . . 25.03 112.564 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.43 -25.46 24.41 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.663 -0.78 . . . . 26.59 113.974 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.481 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 77.8 m95 -87.17 137.88 31.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.795 0.797 . . . . 26.61 110.025 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.598 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 95.8 mt-10 -132.01 129.89 40.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.842 0.353 . . . . 26.95 110.521 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.9 ttt -94.86 129.54 41.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.093 -0.706 . . . . 25.77 109.093 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -143.77 157.36 44.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.683 -0.488 . . . . 28.23 109.683 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -116.09 146.4 42.25 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 110.218 -0.29 . . . . 29.77 110.218 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.475 ' OG1' ' HB ' ' A' ' 88' ' ' VAL . 58.4 p -82.9 -175.0 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.442 -0.577 . . . . 31.75 109.442 174.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -57.79 -48.19 80.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.306 0.484 . . . . 34.32 112.306 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.35 9.85 12.11 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.885 0.328 . . . . 35.43 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.07 24.5 48.18 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.653 -0.784 . . . . 31.3 113.983 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.475 ' HB ' ' OG1' ' A' ' 84' ' ' THR . 92.4 t -80.48 124.5 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.417 0.609 . . . . 31.86 109.487 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.1 117.84 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.721 -0.672 . . . . 28.74 111.424 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -131.14 154.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.19 -0.67 . . . . 30.27 109.19 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -112.32 145.82 39.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.296 0.57 . . . . 28.69 111.022 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 65.5 t -114.92 112.42 39.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.286 -0.87 . . . . 29.13 111.365 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.72 92.29 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.985 -1.117 . . . . 29.7 107.985 174.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 6.57 6.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.123 0.487 . . . . 29.9 110.452 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.27 -50.81 5.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.074 -0.512 . . . . 31.42 110.807 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 p -105.89 4.51 29.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.933 0.345 . . . . 33.14 111.933 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 60.51 76.98 0.34 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.859 0.838 . . . . 35.29 110.901 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.92 157.99 38.6 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.394 -1.275 . . . . 32.59 110.045 -176.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 p -123.27 132.7 54.11 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.808 -0.442 . . . . 32.77 109.808 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.0 t -139.56 158.52 43.98 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.327 0.584 . . . . 30.32 111.54 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 31.76 110.122 178.864 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 62.9 m170 . . . . . 0 N--CA 1.457 -0.088 0 N-CA-C 110.067 -0.346 . . . . 2.5 110.067 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mtp -136.24 134.7 38.37 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.431 -0.951 . . . . 2.06 108.431 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.543 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 6.6 tp-100 -79.6 135.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 1.9 111.317 -176.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -127.14 152.6 47.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.407 -0.815 . . . . 0.83 109.257 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 54' ' ' THR . 28.5 ttmt -132.89 133.31 43.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.461 -0.2 . . . . 2.57 110.461 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.8 tp -116.33 141.84 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.861 -0.422 . . . . 0.33 109.861 175.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.843 HG12 ' HG2' ' A' ' 18' ' ' GLU . 77.6 mt -118.15 123.28 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.97 -0.752 . . . . 0.62 108.97 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.4 mm? -92.61 106.0 18.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.575 -0.45 . . . . 0.25 110.088 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -96.68 87.46 4.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.697 -0.853 . . . . 1.96 108.697 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.36 -166.82 11.78 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.168 -0.924 . . . . 0.91 111.854 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -90.24 -57.13 2.95 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 111.809 0.3 . . . . 3.26 111.809 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -101.51 5.55 41.9 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.172 0.51 . . . . 1.93 110.729 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.48 98.77 4.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.641 -0.709 . . . . 1.8 109.533 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 18.7 mtpp -133.42 110.56 10.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.499 -0.773 . . . . 2.49 109.244 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.07 -165.72 35.37 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.912 -0.661 . . . . 0.39 111.81 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.843 ' HG2' HG12 ' A' ' 9' ' ' ILE . 26.4 mt-10 -138.34 168.29 20.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.761 0.28 . . . . 1.69 110.894 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.42 HG21 ' CZ ' ' A' ' 36' ' ' TYR . 9.3 t -163.92 149.86 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 0.58 109.543 175.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.543 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 38.8 p -116.84 163.46 16.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.595 -0.275 . . . . 0.38 110.951 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -158.35 153.23 25.06 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.638 -0.505 . . . . 0.38 109.638 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 30.9 mt-10 -98.23 105.66 17.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.573 -0.285 . . . . 2.26 110.265 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.83 152.34 47.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.856 -0.424 . . . . 0.38 109.856 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' HG22 ' A' ' 24' ' ' VAL . 7.1 p -101.92 0.93 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-O 121.429 0.633 . . . . 1.09 110.896 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -146.39 157.06 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 2.13 111.145 -176.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.07 46.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 0.59 111.443 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.6 70.74 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.613 -0.514 . . . . 0.48 109.613 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -64.61 -29.5 70.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.714 . . . . 0.46 110.249 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.33 -38.17 63.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.131 0.491 . . . . 0.28 109.687 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.607 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 16.8 tt0 -61.02 -53.75 53.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.409 -0.814 . . . . 1.29 109.488 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -54.7 -44.85 73.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.035 0.754 . . . . 2.42 113.035 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.54 -48.33 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.846 0.355 . . . . 0.3 111.215 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.468 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 3.1 m-85 -70.55 -21.86 62.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.58 0.585 . . . . 1.11 112.58 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 45.7 mtpt -77.16 -39.22 49.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.551 -0.537 . . . . 1.09 109.551 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.04 93.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.496 -1.298 . . . . 2.2 107.496 174.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.468 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 34.3 t80 -60.84 -55.26 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.132 -1.395 . . . . 1.24 110.725 175.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.0 67.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.363 0.601 . . . . 0.22 110.789 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.63 -26.81 65.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 1.39 110.408 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -75.07 -30.6 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 1.78 111.021 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -100.17 2.73 43.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.9 0.381 . . . . 1.78 110.857 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.56 36.47 93.19 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 115.541 -0.754 . . . . 0.37 113.858 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.69 109.23 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.212 0.53 . . . . 0.46 110.517 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -129.68 137.93 50.89 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.565 -0.743 . . . . 1.86 109.229 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.05 -171.53 43.58 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.654 -0.979 . . . . 0.43 110.654 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 143.64 52.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 2.79 110.731 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.552 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.6 m95 -113.12 141.36 47.0 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.41 111.204 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -135.91 159.1 42.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 0.63 109.826 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -143.9 131.12 20.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.798 0.332 . . . . 1.18 111.839 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -108.47 131.8 54.44 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.128 -1.434 . . . . 2.07 107.128 174.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -85.37 -24.76 27.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.226 -0.59 . . . . 2.28 111.724 -172.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.25 -30.29 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.869 0.366 . . . . 0.91 111.038 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 p -111.0 -6.9 14.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.085 0.772 . . . . 1.19 113.085 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 56.35 32.82 21.21 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.78 0.8 . . . . 2.08 110.001 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 78.5 m -102.19 114.46 28.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.766 -1.106 . . . . 0.51 112.486 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 54.5 m-85 -85.48 139.61 31.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.433 -0.951 . . . . 1.19 108.433 171.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 m -127.16 131.48 50.72 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.611 -0.435 . . . . 0.96 110.957 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -113.63 116.25 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.971 -0.751 . . . . 0.3 108.971 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m -102.13 119.6 39.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.691 -0.686 . . . . 0.52 111.159 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.738 -0.664 . . . . 2.56 109.346 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.0 mm? . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.79 -0.448 . . . . 22.94 109.79 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.86 147.36 94.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.008 1.805 . . . . 23.54 111.294 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -45.07 127.27 8.52 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.013 2.475 . . . . 25.03 112.491 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.16 -26.33 24.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.024 -1.084 . . . . 26.59 113.437 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -90.53 140.93 29.27 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.488 0.644 . . . . 26.61 111.2 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -125.15 150.86 46.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.761 -0.459 . . . . 26.95 109.761 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -128.78 132.37 47.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.363 -0.606 . . . . 25.77 109.363 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -146.42 157.06 43.72 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 110.094 -0.335 . . . . 28.23 110.094 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.82 153.92 23.72 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.849 0.357 . . . . 29.77 111.241 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 88' ' ' VAL . 82.3 p -91.65 -169.35 2.27 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.146 -0.479 . . . . 31.75 110.096 175.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -62.03 -49.04 77.61 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.296 0.48 . . . . 34.32 112.296 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -83.65 9.12 12.35 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.35 -0.386 . . . . 35.43 111.656 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.66 58.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.483 -0.865 . . . . 31.3 113.22 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.446 ' HB ' ' OG1' ' A' ' 84' ' ' THR . 95.3 t -80.95 123.41 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.6 -0.518 . . . . 31.86 109.6 178.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -84.69 130.81 34.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 28.74 111.551 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -135.6 160.78 37.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.926 -0.768 . . . . 30.27 108.926 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.66 151.62 31.54 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.036 0.446 . . . . 28.69 111.483 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.62 130.89 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 29.13 111.128 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.6 118.83 30.35 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.567 -0.901 . . . . 29.7 108.567 175.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -76.81 -20.57 56.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 118.215 0.461 . . . . 29.9 111.382 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -78.22 -47.07 18.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.347 -0.388 . . . . 31.42 111.199 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.2 p -92.32 -11.97 33.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.296 -0.261 . . . . 33.14 110.296 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 62.93 36.17 12.87 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.588 0.709 . . . . 35.29 109.601 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -110.64 161.85 15.32 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.602 -1.181 . . . . 32.59 110.749 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.9 p -110.05 143.25 40.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.182 -1.044 . . . . 32.77 108.182 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -141.43 134.1 28.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 30.32 110.342 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 31.76 110.42 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 . . . . . 0 C--O 1.233 0.22 0 N-CA-C 109.332 -0.618 . . . . 2.5 109.332 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 ttm -131.01 162.57 29.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.804 -1.184 . . . . 2.06 107.804 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -95.41 108.49 20.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.721 0.296 . . . . 1.9 111.179 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -101.82 131.78 47.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.554 -0.906 . . . . 0.83 108.554 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.592 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 7.8 ptpp? -109.5 149.47 29.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 2.57 111.136 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.2 tp -125.93 136.71 53.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.343 -0.844 . . . . 0.33 110.183 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.8 mt -121.69 115.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.104 -0.702 . . . . 0.62 109.104 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -90.93 117.36 29.46 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.907 -0.775 . . . . 0.25 108.907 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -118.35 84.54 2.2 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.623 0.725 . . . . 1.96 109.332 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.7 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -140.37 153.8 23.71 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.514 -1.221 . . . . 0.91 110.544 175.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' H ' ' HG3' ' A' ' 13' ' ' LYS . 15.2 mttp -49.69 -40.17 39.28 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 123.831 0.852 . . . . 3.26 111.86 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -99.94 2.42 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 1.93 111.611 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.18 99.11 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 1.8 110.66 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.7 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 23.0 mtpp -128.79 109.25 11.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.838 -0.619 . . . . 2.49 109.374 177.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.45 -169.01 41.0 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 110.611 -0.996 . . . . 0.39 110.611 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -137.99 165.69 25.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.769 0.785 . . . . 1.69 111.789 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.6 t -156.03 175.22 14.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.864 -1.062 . . . . 0.58 108.969 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -139.72 159.57 41.86 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.798 0.295 . . . . 0.38 111.798 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 33' ' ' PHE . 4.6 t -152.01 156.5 40.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 0.38 110.181 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -106.8 118.77 37.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.777 -0.453 . . . . 2.26 109.777 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.33 158.66 43.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.334 -0.617 . . . . 0.38 109.334 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.77 7.28 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 1.09 111.398 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -154.03 155.86 36.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.009 -0.737 . . . . 2.13 109.009 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.42 -40.42 43.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.814 0.34 . . . . 0.59 110.747 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.72 -34.95 79.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.146 -0.479 . . . . 0.48 110.875 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -69.25 -29.25 67.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.86 -0.609 . . . . 0.46 110.827 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.35 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 0.28 109.38 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -61.53 -50.03 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.934 -1.03 . . . . 1.29 110.715 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 59.6 mmtt -61.77 -38.31 87.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.762 -0.654 . . . . 2.42 111.705 -175.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.1 t -74.14 -48.6 36.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.3 111.235 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -70.09 -23.88 63.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 1.11 112.094 -177.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 42.0 mtpt -73.23 -30.87 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.906 -0.496 . . . . 1.09 110.537 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 15.4 tm0? -76.16 -32.08 58.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.757 -1.201 . . . . 2.2 107.757 174.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.479 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 43.1 t80 -65.88 -50.14 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.197 -0.91 . . . . 1.24 110.59 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 -31.17 71.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.764 -0.653 . . . . 0.22 109.638 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 35' ' ' GLN . 5.9 t30 -59.46 -48.1 82.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.278 -0.874 . . . . 1.39 110.31 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -70.7 -10.53 59.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 1.78 111.543 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -99.69 -3.86 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.276 -0.42 . . . . 1.78 110.275 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.09 78.47 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.37 113.317 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.67 118.41 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 117.127 0.464 . . . . 0.46 110.992 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -136.13 123.54 22.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.52 -0.764 . . . . 1.86 109.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.24 -171.06 38.92 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.607 -0.806 . . . . 0.43 111.542 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -59.91 143.93 50.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.79 111.358 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.487 ' CZ2' ' HG3' ' A' ' 34' ' ' LYS . 3.9 m95 -115.89 112.61 22.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.41 110.951 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 p -106.45 153.84 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.836 -0.62 . . . . 0.63 110.578 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 54' ' ' THR . 29.1 t80 -150.46 151.5 32.82 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.269 0.355 . . . . 1.18 110.624 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -140.34 128.3 22.05 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.149 -1.056 . . . . 2.07 108.149 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -77.24 -9.55 58.87 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.128 0.418 . . . . 2.28 112.128 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.62 -38.06 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.543 -0.463 . . . . 0.91 111.852 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.3 p -106.92 -8.04 16.81 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.406 0.521 . . . . 1.19 112.406 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 59.55 36.36 22.81 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.186 0.517 . . . . 2.08 109.862 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.592 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.2 m -101.97 129.23 48.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.766 -0.652 . . . . 0.51 112.174 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -110.29 135.48 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.908 -0.775 . . . . 1.19 108.908 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.7 m -131.29 133.6 45.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.86 -0.336 . . . . 0.96 111.193 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.11 118.88 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.619 -0.882 . . . . 0.3 108.619 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -115.16 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.818 -0.628 . . . . 0.52 111.656 -174.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' HG3' ' A' ' 13' ' ' LYS . 42.9 mt-10 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 2.56 110.808 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--O 1.237 0.422 0 N-CA-C 110.288 -0.264 . . . . 22.94 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.5 ' CB ' ' HD2' ' A' ' 77' ' ' PRO . 8.3 Cg_exo -67.43 173.63 8.47 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.042 1.828 . . . . 23.54 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.5 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 59.7 Cg_endo -61.97 129.71 28.34 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.587 2.191 . . . . 25.03 111.738 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.19 34.97 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 120.671 -0.776 . . . . 26.59 113.965 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -86.07 135.71 33.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 117.768 0.784 . . . . 26.61 110.154 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -123.41 132.72 54.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.789 0.328 . . . . 26.95 111.274 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.3 ttt -105.33 119.01 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.907 -1.146 . . . . 25.77 107.907 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -140.57 157.79 44.95 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.502 -0.479 . . . . 28.23 110.31 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -108.72 149.49 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.21 -0.293 . . . . 29.77 110.21 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -81.1 -178.42 6.89 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.319 -0.993 . . . . 31.75 108.319 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 p -78.67 8.1 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.095 0.474 . . . . 34.32 111.316 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.43 -2.39 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.528 -0.545 . . . . 35.43 109.528 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.01 21.67 45.15 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.765 -0.731 . . . . 31.3 113.089 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.6 t -107.45 127.22 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.855 0.359 . . . . 31.86 111.04 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.605 ' NH1' ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.79 140.76 53.39 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 28.74 112.046 179.634 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -150.8 159.35 44.59 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.813 -0.81 . . . . 30.27 108.813 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.605 ' HE1' ' NH1' ' A' ' 89' ' ' ARG . 98.0 m-85 -119.24 149.77 41.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.225 0.536 . . . . 28.69 110.728 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.9 t -108.98 116.53 52.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.728 -0.669 . . . . 29.13 109.994 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.547 ' HB3' HG22 ' A' ' 98' ' ' THR . 8.3 t70 -83.42 133.67 34.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.109 -1.071 . . . . 29.7 108.109 174.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -89.86 -20.56 23.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.83 0.678 . . . . 29.9 112.83 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -82.29 -35.56 27.88 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.185 -0.606 . . . . 31.42 111.794 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 p -102.07 -12.61 17.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.096 0.474 . . . . 33.14 109.797 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 57.38 75.42 0.37 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 114.8 -1.091 . . . . 35.29 110.518 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.547 HG22 ' HB3' ' A' ' 93' ' ' ASP . 4.8 t -143.17 168.76 19.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.643 -1.162 . . . . 32.59 110.726 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -114.34 101.58 9.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.742 -1.207 . . . . 32.77 107.742 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 t -119.34 152.74 36.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.315 0.579 . . . . 30.32 111.895 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.529 -0.759 . . . . 31.76 109.172 177.769 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.4 m170 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 108.874 -0.787 . . . . 2.5 108.874 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.4 mmm -100.04 135.46 41.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.399 -0.593 . . . . 2.06 109.399 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -91.06 120.16 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.781 -0.367 . . . . 1.9 110.774 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.35 142.09 47.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.732 -0.84 . . . . 0.83 108.732 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.447 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.1 ptmt -112.67 147.77 36.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.847 0.356 . . . . 2.57 110.483 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -129.64 143.21 50.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.099 -0.501 . . . . 0.33 110.081 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.453 HG22 ' OD1' ' A' ' 11' ' ' ASN . 81.2 mt -125.53 124.08 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.719 -0.845 . . . . 0.62 108.719 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.649 ' O ' ' HD2' ' A' ' 16' ' ' LYS . 1.3 mm? -94.3 93.24 7.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.209 -0.663 . . . . 0.25 109.209 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.608 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -88.47 86.75 7.09 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.432 -0.951 . . . . 1.96 108.432 178.244 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.604 ' H ' ' HD2' ' A' ' 16' ' ' LYS . . . -153.15 135.57 4.93 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.297 -1.121 . . . . 0.91 110.297 177.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -57.88 -19.93 33.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.093 0.447 . . . . 3.26 111.541 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -30.63 47.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.319 -0.4 . . . . 1.93 110.805 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 99.11 1.34 Allowed 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.163 -0.31 . . . . 1.8 110.163 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HD2' ' O ' ' A' ' 10' ' ' LEU . 9.0 mmmm -102.88 120.23 40.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.112 0.482 . . . . 2.49 109.94 175.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.76 171.79 42.39 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.306 -0.861 . . . . 0.39 111.116 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -131.83 161.25 33.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.219 -0.289 . . . . 1.69 110.219 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.6 t -159.97 173.84 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.241 -0.436 . . . . 0.58 110.354 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.6 p -133.84 161.97 33.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.324 -0.398 . . . . 0.38 110.125 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.34 156.49 35.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.15 -0.315 . . . . 0.38 110.15 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.71 118.79 33.94 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.419 . . . . 2.26 109.867 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.8 153.63 50.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.18 -0.674 . . . . 0.38 109.18 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.22 8.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 1.09 111.262 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.482 ' HB3' ' OG1' ' A' ' 28' ' ' THR . 19.5 t70 -157.1 158.66 36.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.321 -0.622 . . . . 2.13 109.321 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.33 -50.24 19.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.464 -0.335 . . . . 0.59 111.389 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.24 -26.82 67.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.212 0.53 . . . . 0.48 110.025 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 16.4 m -72.3 -28.47 63.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.297 -0.865 . . . . 0.46 110.693 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.14 65.29 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.272 -0.64 . . . . 0.28 109.272 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 8.4 tt0 -59.26 -59.16 5.9 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.072 -0.967 . . . . 1.29 109.57 177.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.81 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 10.8 mmpt? -49.0 -41.78 35.66 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 2.42 112.515 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 28' ' ' THR . 91.6 t -73.11 -52.0 23.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.818 0.342 . . . . 0.3 111.227 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.481 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.1 m-85 -66.78 -24.08 66.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.866 0.321 . . . . 1.11 111.866 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.618 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.4 mtpt -69.87 -39.68 76.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.865 -0.42 . . . . 1.09 109.865 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -66.24 -31.51 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.814 -0.81 . . . . 2.2 108.814 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.481 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 26.6 t80 -70.05 -50.56 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.89 -1.05 . . . . 1.24 110.569 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.37 -37.08 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.95 -0.568 . . . . 0.22 110.431 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.34 -38.03 87.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.789 . . . . 1.39 110.222 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.04 -26.6 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 1.78 111.151 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -89.28 -17.45 28.94 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.228 -0.442 . . . . 1.78 110.664 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.93 10.18 61.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.841 -0.695 . . . . 0.37 112.603 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -95.27 116.42 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.867 0.365 . . . . 0.46 110.576 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -138.52 136.2 35.86 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.957 -0.757 . . . . 1.86 108.957 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.16 -170.09 41.63 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.95 -0.86 . . . . 0.43 110.95 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.592 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 11.2 pt-20 -54.94 141.18 34.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 2.79 110.681 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.618 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.7 m95 -112.56 122.31 47.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.936 0.398 . . . . 0.41 109.987 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 p -123.9 158.07 32.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.616 -0.72 . . . . 0.63 110.041 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -149.98 150.55 31.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 1.18 110.657 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -130.6 135.71 48.15 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.847 -0.797 . . . . 2.07 108.847 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -77.3 -29.66 53.8 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.763 0.316 . . . . 2.28 111.41 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.58 63.91 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.103 0.409 . . . . 0.91 112.103 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.6 p -104.37 -11.61 17.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.312 0.856 . . . . 1.19 113.312 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.92 31.24 20.31 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.424 0.631 . . . . 2.08 109.848 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.447 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 7.9 m -99.48 122.65 42.87 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.563 -0.744 . . . . 0.51 111.987 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 42.4 m-85 -93.2 134.0 35.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.588 -1.264 . . . . 1.19 107.588 171.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.0 m -132.19 131.81 42.54 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.365 -0.534 . . . . 0.96 111.655 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.54 123.75 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.217 -1.031 . . . . 0.3 108.217 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.592 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 5.5 m -118.13 126.66 52.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.654 0.613 . . . . 0.52 112.654 -173.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 107.117 -1.438 . . . . 2.56 107.117 173.084 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.236 0.347 0 N-CA-C 109.944 -0.391 . . . . 22.94 109.944 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.601 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.4 Cg_exo -72.53 149.07 49.08 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.073 1.849 . . . . 23.54 111.026 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -47.12 124.81 9.42 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.881 2.387 . . . . 25.03 112.298 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.19 -30.56 9.63 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.703 -0.681 . . . . 26.59 112.631 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.601 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -93.52 144.72 25.1 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.451 -0.574 . . . . 26.61 109.451 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -142.61 158.65 43.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.498 -0.481 . . . . 26.95 110.015 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.703 -0.68 . . . . 25.77 109.572 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -147.46 156.18 42.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.809 -0.441 . . . . 28.23 109.809 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -102.91 146.25 28.6 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.962 -0.385 . . . . 29.77 109.962 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.7 p -77.69 179.42 6.62 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.95 -0.759 . . . . 31.75 108.95 175.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 p -76.05 11.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 34.32 111.611 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -121.54 -2.52 9.42 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.401 -0.818 . . . . 35.43 109.139 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.69 21.87 52.1 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.345 -0.843 . . . . 31.3 113.236 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 68.8 t -96.79 142.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 31.86 110.999 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -86.29 124.36 32.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 28.74 111.994 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -134.1 154.48 51.16 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.807 -0.357 . . . . 30.27 110.102 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -108.07 141.7 39.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.079 0.466 . . . . 28.69 111.012 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.47 120.64 65.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.837 -0.62 . . . . 29.13 110.983 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.78 115.2 27.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.962 -1.125 . . . . 29.7 107.962 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -79.83 -5.58 55.71 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.877 0.695 . . . . 29.9 112.877 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.604 ' ND2' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -92.32 -34.59 14.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.557 -0.457 . . . . 31.42 111.296 -178.265 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.604 HG23 ' ND2' ' A' ' 95' ' ' ASN . 39.9 p -108.18 -7.97 15.88 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 122.1 -0.375 . . . . 33.14 110.922 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 97' ' ' ARG . 17.0 mtp180 62.61 30.08 16.97 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.554 1.168 . . . . 35.29 111.187 177.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.3 p -104.35 156.11 18.2 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.406 -1.724 . . . . 32.59 110.776 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 p -112.57 104.21 12.3 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.235 -0.283 . . . . 32.77 110.235 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.4 t -96.02 146.86 24.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.024 0.44 . . . . 30.32 110.193 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 t80 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.808 -0.441 . . . . 31.76 109.808 -179.327 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 120.472 0.177 . . . . 2.5 111.057 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.3 mtp -114.93 137.89 51.46 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.578 -0.527 . . . . 2.06 109.578 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.406 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 31.1 tt0 -74.95 115.41 14.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.376 -0.374 . . . . 1.9 111.662 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -111.49 143.3 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.572 -0.899 . . . . 0.83 108.572 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HB2' HG23 ' A' ' 54' ' ' THR . 29.3 mttt -116.52 162.91 16.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.392 -0.523 . . . . 2.57 111.718 -177.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.447 HD22 ' CG ' ' A' ' 33' ' ' PHE . 23.5 tp -145.91 125.6 13.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.185 -0.916 . . . . 0.33 111.237 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mp -113.24 119.69 61.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 108.85 -0.796 . . . . 0.62 108.85 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.45 109.67 21.06 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.583 -0.525 . . . . 0.25 109.583 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -103.58 88.42 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 1.96 109.78 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.614 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -136.6 126.84 3.9 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.844 -0.902 . . . . 0.91 110.844 178.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -48.67 -30.26 5.29 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.629 0.974 . . . . 3.26 113.629 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -95.05 -42.06 8.81 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.78 -0.368 . . . . 1.93 111.473 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -129.99 109.6 11.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.981 -0.377 . . . . 1.8 109.981 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -113.8 155.89 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.352 -0.981 . . . . 2.49 108.352 176.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.29 -173.03 45.89 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.596 -0.812 . . . . 0.39 111.848 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -164.94 150.45 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.8 0.333 . . . . 1.69 110.541 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 t -163.41 178.78 7.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.077 -0.51 . . . . 0.58 110.921 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.4 p -138.35 159.46 42.01 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.4 -0.364 . . . . 0.38 111.164 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -149.54 156.78 42.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.901 -0.407 . . . . 0.38 109.901 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -105.42 109.17 21.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.111 -0.495 . . . . 2.26 110.137 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.66 160.25 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.708 -0.479 . . . . 0.38 109.708 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 m -109.12 7.85 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 1.09 111.887 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -143.78 144.45 31.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.203 -0.199 . . . . 2.13 110.801 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.37 90.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.59 110.287 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 31' ' ' LYS . . . -61.61 -40.5 95.06 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.868 -0.605 . . . . 0.48 110.831 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 m -65.78 -34.16 77.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.507 -0.315 . . . . 0.46 111.154 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.31 78.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.059 -0.719 . . . . 0.28 109.059 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.9 tt0 -65.93 -57.27 8.23 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.795 -1.093 . . . . 1.29 109.669 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 27.9 mtpp -50.35 -46.69 55.92 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.251 0.834 . . . . 2.42 113.251 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.9 t -72.2 -46.65 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.3 110.947 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.447 ' CG ' HD22 ' A' ' 8' ' ' LEU . 2.2 m-85 -69.86 -24.22 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.413 -0.358 . . . . 1.11 111.802 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 33.4 mtpt -67.31 -46.27 74.02 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 121.021 -0.272 . . . . 1.09 110.439 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -33.18 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.228 -1.027 . . . . 2.2 108.228 177.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -65.0 -53.99 37.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.104 -0.953 . . . . 1.24 110.62 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.32 87.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.681 . . . . 0.22 110.918 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -62.65 -34.38 76.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 1.39 110.231 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 1.78 110.628 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -76.3 -12.54 60.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.023 0.44 . . . . 1.78 110.471 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.18 10.64 57.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.05 -0.595 . . . . 0.37 112.716 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.15 100.55 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 121.762 0.791 . . . . 0.46 110.857 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -129.18 101.49 6.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.781 -1.099 . . . . 1.86 108.875 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -171.27 14.5 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.61 -0.805 . . . . 0.43 111.417 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 146.72 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 2.79 110.884 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.9 m95 -110.3 131.29 55.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.41 111.573 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 138.85 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.656 -0.868 . . . . 0.63 108.656 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.421 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 36.0 t80 -136.0 153.49 51.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.103 0.478 . . . . 1.18 111.343 -176.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -132.24 130.04 40.42 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.879 -1.156 . . . . 2.07 107.879 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.44 -13.47 46.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.289 -0.564 . . . . 2.28 111.011 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.55 -33.1 62.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 0.91 111.348 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -116.47 -11.14 11.17 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.82 1.045 . . . . 1.19 113.82 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HA ' ' HE2' ' A' ' 48' ' ' TYR . 13.9 mptt 66.85 23.09 10.07 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.319 0.581 . . . . 2.08 111.221 -177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 7' ' ' LYS . 3.4 m -88.6 122.63 32.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.715 -0.675 . . . . 0.51 111.251 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 45.2 m-85 -102.53 137.31 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.745 -0.835 . . . . 1.19 108.745 174.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -128.26 127.63 43.18 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.478 -0.328 . . . . 0.96 110.599 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -109.13 117.66 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.81 -0.811 . . . . 0.3 108.81 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 m -105.44 124.42 49.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.52 111.562 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 108.029 -1.1 . . . . 2.56 108.029 177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--O 1.231 0.116 0 N-CA-C 110.532 -0.173 . . . . 22.94 110.532 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -70.64 147.44 57.2 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.856 1.704 . . . . 23.54 110.789 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.45 127.0 15.03 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.806 2.337 . . . . 25.03 111.849 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.62 23.79 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.329 -0.938 . . . . 26.59 113.198 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -89.46 137.53 32.25 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.472 -0.566 . . . . 26.61 109.472 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -123.3 143.42 50.09 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.216 0.531 . . . . 26.95 110.99 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 55.1 ttp -113.49 112.47 23.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.124 -0.944 . . . . 25.77 108.8 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -136.99 155.31 49.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.243 -0.583 . . . . 28.23 110.141 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -122.17 152.77 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.09 -0.337 . . . . 29.77 110.09 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.7 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.371 -0.974 . . . . 31.75 108.371 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 m -79.79 15.99 1.25 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.071 0.462 . . . . 34.32 111.95 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -122.58 0.01 9.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.185 -0.461 . . . . 35.43 110.543 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.74 11.92 59.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.512 -0.851 . . . . 31.3 112.661 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.5 t -89.14 126.51 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.687 -0.486 . . . . 31.86 109.687 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -94.74 122.24 37.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.032 -0.531 . . . . 28.74 111.221 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -126.67 151.32 48.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.609 -0.515 . . . . 30.27 109.609 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -118.07 145.8 44.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.823 -0.436 . . . . 28.69 109.823 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -113.65 112.22 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.919 -0.582 . . . . 29.13 111.251 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.46 90.86 5.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.641 -0.874 . . . . 29.7 108.641 175.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -75.32 -4.09 37.2 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.801 -0.562 . . . . 29.9 110.999 -177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -73.69 -48.82 29.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.027 0.442 . . . . 31.42 110.48 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 p -104.37 -7.33 20.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 33.14 111.012 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 65.42 77.45 0.3 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.937 0.875 . . . . 35.29 111.348 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.8 t -158.53 171.65 19.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.691 -1.14 . . . . 32.59 109.543 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -123.06 143.43 49.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.88 -0.415 . . . . 32.77 109.88 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.4 t -147.29 156.7 43.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.927 -0.309 . . . . 30.32 110.429 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.34 -0.615 . . . . 31.76 109.34 178.577 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.3 m80 . . . . . 0 CA--C 1.515 -0.383 0 N-CA-C 109.824 -0.436 . . . . 2.5 109.824 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.6 tpt -122.63 149.91 43.37 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.385 -1.339 . . . . 2.06 107.385 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -86.48 102.49 14.13 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.725 -0.39 . . . . 1.9 110.35 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 23' ' ' ALA . 57.0 m-85 -90.52 141.75 28.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.316 -0.624 . . . . 0.83 109.316 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.609 ' HD3' ' N ' ' A' ' 8' ' ' LEU . 3.9 tmtm? -120.06 146.86 45.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.326 -0.852 . . . . 2.57 109.69 -173.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.609 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 12.6 tp -141.69 142.64 33.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.33 110.754 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -125.27 124.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 108.763 -0.828 . . . . 0.62 108.763 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.12 99.27 12.11 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 120.169 -0.612 . . . . 0.25 109.449 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 3.6 m-80 -87.25 86.76 7.3 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.069 -1.086 . . . . 1.96 108.069 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.63 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -130.77 122.15 3.46 Favored Glycine 0 C--O 1.221 -0.671 0 CA-C-N 115.609 -0.723 . . . . 0.91 111.311 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -45.54 -40.83 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.76 1.022 . . . . 3.26 113.76 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.3 m -83.72 -42.29 16.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.72 -0.392 . . . . 1.93 111.56 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.6 tp -133.74 115.37 14.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.627 0.251 . . . . 1.8 110.741 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -115.73 148.28 39.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.235 -0.654 . . . . 2.49 109.235 178.113 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.9 -172.66 44.92 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.823 -0.703 . . . . 0.39 111.518 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -158.66 154.53 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.939 0.37 . . . . 1.69 111.252 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -152.9 -178.71 7.08 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.765 -0.652 . . . . 0.58 110.388 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.3 p -140.79 164.2 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.127 -0.488 . . . . 0.38 110.325 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -156.5 156.56 33.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.715 0.293 . . . . 0.38 110.515 176.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -94.87 99.83 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 2.26 109.935 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . . . -124.95 158.12 34.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.861 -0.422 . . . . 0.38 109.861 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.9 m -109.22 7.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.397 0.517 . . . . 1.09 112.397 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -159.03 160.35 35.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.835 -0.346 . . . . 2.13 111.296 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.43 -45.72 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.59 111.51 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.48 110.633 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -65.41 -34.37 78.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.46 110.65 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.5 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.094 0.474 . . . . 0.28 109.89 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -62.44 -58.58 7.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.355 -0.839 . . . . 1.29 109.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -48.64 -47.21 40.52 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.602 -0.726 . . . . 2.42 112.785 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.37 -48.62 66.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.732 0.301 . . . . 0.3 111.603 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.587 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 4.4 m-85 -70.67 -20.71 62.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.413 -0.358 . . . . 1.11 111.892 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 30.8 mtpt -70.92 -42.61 69.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.947 -0.39 . . . . 1.09 109.947 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -43.3 95.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.837 -1.171 . . . . 2.2 107.837 175.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 27.1 t80 -57.14 -50.74 71.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.339 -1.755 . . . . 1.24 111.414 178.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.82 -34.14 71.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.22 110.794 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.83 -40.26 94.67 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.875 -0.602 . . . . 1.39 110.404 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.92 -26.66 66.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 1.78 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -91.51 -4.5 55.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.065 -0.516 . . . . 1.78 110.504 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.5 78.04 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.432 -0.804 . . . . 0.37 113.193 177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -91.02 123.53 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 117.297 0.549 . . . . 0.46 110.634 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -139.64 132.96 29.97 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.532 -0.914 . . . . 1.86 108.532 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.77 -171.55 43.74 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.36 -0.924 . . . . 0.43 111.595 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.71 150.97 42.44 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.66 0.267 . . . . 2.79 110.468 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.7 m95 -114.44 138.72 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.41 111.419 -177.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.31 163.95 28.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.297 -0.865 . . . . 0.63 110.233 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -154.29 148.0 25.36 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 110.131 -0.322 . . . . 1.18 110.131 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.69 153.31 37.09 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.826 -1.175 . . . . 2.07 107.826 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -90.34 -17.43 27.33 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.714 0.635 . . . . 2.28 112.714 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.55 -49.65 7.4 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.744 -0.597 . . . . 0.91 112.153 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -104.8 -5.25 21.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 112.633 0.605 . . . . 1.19 112.633 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.95 36.4 18.74 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.496 0.665 . . . . 2.08 109.927 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.459 ' HA ' ' HB3' ' A' ' 7' ' ' LYS . 46.3 m -83.81 108.83 17.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.19 -0.913 . . . . 0.51 111.199 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 24.2 m-85 -83.62 126.97 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.25 -0.648 . . . . 1.19 109.25 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.76 121.68 41.43 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.35 -0.386 . . . . 0.96 111.576 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -108.55 110.52 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.854 -1.165 . . . . 0.3 107.854 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.416 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 9.9 m -103.86 113.64 27.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.617 -0.72 . . . . 0.52 112.103 -173.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 107.761 -1.2 . . . . 2.56 107.761 176.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.235 0.301 0 N-CA-C 109.21 -0.663 . . . . 22.94 109.21 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 45.5 Cg_exo -57.61 144.0 93.57 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 120.815 1.01 . . . . 23.54 110.617 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.14 124.37 10.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.989 2.459 . . . . 25.03 112.738 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.27 -24.56 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.776 -0.726 . . . . 26.59 113.654 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.4 ' CD1' ' HB2' ' A' ' 76' ' ' PRO . 74.4 m95 -86.96 128.83 35.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 117.505 0.653 . . . . 26.61 110.618 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.64 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 18.7 mm-40 -109.3 139.64 43.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.844 0.354 . . . . 26.95 110.247 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.463 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 12.0 tmm? -114.32 130.61 56.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.374 -0.973 . . . . 25.77 108.374 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 81' ' ' MET . 23.6 mttp -148.97 156.49 42.35 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 110.342 -0.244 . . . . 28.23 110.342 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.45 157.76 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.639 0.257 . . . . 29.77 110.521 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.6 p -90.97 168.63 11.52 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.843 -1.169 . . . . 31.75 107.843 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 p -76.33 13.97 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.399 0.518 . . . . 34.32 112.399 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -120.78 -2.91 9.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.185 0.516 . . . . 35.43 109.629 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.55 7.29 59.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.631 -0.795 . . . . 31.3 113.199 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.6 t -87.44 145.88 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.548 -0.538 . . . . 31.86 109.548 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -104.36 136.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.48 0.181 . . . . 28.74 111.196 -175.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -143.78 158.91 43.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.236 -0.653 . . . . 30.27 109.236 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -114.57 153.71 29.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.314 0.578 . . . . 28.69 111.524 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.64 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 58.7 t -126.57 121.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.504 -0.771 . . . . 29.13 110.612 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 104.96 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.526 -0.916 . . . . 29.7 108.526 177.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -71.17 1.21 6.25 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.999 -0.438 . . . . 29.9 112.054 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -90.3 -50.06 6.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.687 -0.233 . . . . 31.42 110.889 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.3 p -100.82 -8.01 23.05 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.126 -0.23 . . . . 33.14 110.962 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 67.94 31.79 5.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.802 0.81 . . . . 35.29 110.376 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 p -99.31 156.43 17.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.463 -1.244 . . . . 32.59 110.941 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 p -107.28 104.63 14.28 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.774 -0.454 . . . . 32.77 109.774 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.2 t -109.75 157.75 18.83 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.499 0.666 . . . . 30.32 111.185 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 CA-C-N 115.639 -0.71 . . . . 31.76 110.028 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p80 . . . . . 0 C--O 1.231 0.117 0 N-CA-C 109.82 -0.437 . . . . 2.5 109.82 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.2 mtp -108.81 135.84 49.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.749 -0.834 . . . . 2.06 108.749 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -92.16 116.1 28.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.972 -0.381 . . . . 1.9 109.972 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -103.71 159.42 15.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.569 -0.53 . . . . 0.83 109.569 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.11 135.02 35.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.186 -0.461 . . . . 2.57 110.127 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.1 tp -120.02 142.14 49.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 0.33 110.732 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.0 mt -120.5 120.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.704 -0.851 . . . . 0.62 108.704 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.426 HD21 ' HE1' ' A' ' 36' ' ' TYR . 1.2 mm? -94.02 100.78 12.84 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.417 -0.513 . . . . 0.25 109.778 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.12 87.14 4.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.483 -0.932 . . . . 1.96 108.483 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.688 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -149.03 129.78 3.17 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.231 -1.148 . . . . 0.91 110.231 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -50.76 -32.93 21.25 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.362 0.505 . . . . 3.26 112.362 -175.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -83.95 -19.63 34.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.142 0.423 . . . . 1.93 112.142 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -156.99 104.68 2.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.419 -0.586 . . . . 1.8 109.419 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.688 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 9.7 mtmt -119.39 124.65 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.893 -0.594 . . . . 2.49 110.627 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.23 -171.49 44.3 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.734 -0.667 . . . . 0.39 111.793 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -136.05 163.62 29.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.255 -0.276 . . . . 1.69 110.255 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.404 HG21 ' CE1' ' A' ' 36' ' ' TYR . 14.6 t -161.42 164.0 30.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 0.58 110.376 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -134.69 161.34 35.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.381 -0.372 . . . . 0.38 110.455 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -158.18 143.81 16.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.849 -0.426 . . . . 0.38 109.849 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.88 121.68 36.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.384 -0.599 . . . . 2.26 109.384 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.35 159.2 42.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.832 -0.433 . . . . 0.38 109.832 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.1 m -104.73 2.84 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.265 0.469 . . . . 1.09 112.265 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 4.7 m-20 -132.82 144.25 50.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.888 -0.412 . . . . 2.13 109.888 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.95 71.79 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.029 0.443 . . . . 0.59 110.25 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -72.69 -37.3 67.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.629 -0.714 . . . . 0.48 111.387 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 16.6 m -66.24 -33.89 76.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.517 -0.311 . . . . 0.46 111.452 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.23 75.21 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.341 0.591 . . . . 0.28 109.639 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 18.4 tt0 -62.61 -57.1 12.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.648 -1.16 . . . . 1.29 109.95 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.4 mmtp -56.92 -43.96 81.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.407 -0.815 . . . . 2.42 112.707 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.24 -44.36 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.3 110.87 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -70.0 -21.5 63.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.456 . . . . 1.11 112.024 -179.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.0 mtpp -76.39 -34.65 58.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.45 -0.574 . . . . 1.09 109.45 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -74.11 -30.98 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.85 -0.796 . . . . 2.2 108.85 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.426 ' HE1' HD21 ' A' ' 10' ' ' LEU . 42.2 t80 -64.04 -50.31 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.619 -0.719 . . . . 1.24 109.543 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 0.22 110.042 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -59.71 -40.73 88.96 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.463 -0.789 . . . . 1.39 110.332 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.31 -21.31 65.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 1.78 111.232 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -101.97 2.47 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.69 23.37 76.78 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 115.96 -0.564 . . . . 0.37 113.089 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.89 118.97 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.104 0.478 . . . . 0.46 110.536 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -150.41 97.88 2.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.705 -0.679 . . . . 1.86 109.246 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -130.87 -169.47 12.47 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 121.154 -0.546 . . . . 0.43 111.842 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.49 129.39 35.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.752 0.311 . . . . 2.79 110.197 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.638 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.0 m95 -100.18 115.0 28.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.838 -0.619 . . . . 0.41 111.372 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.443 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 21.6 p -116.46 160.18 20.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 0.63 109.942 178.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -144.6 156.81 44.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.92 0.39 . . . . 1.18 111.089 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.88 129.22 29.9 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.983 -1.117 . . . . 2.07 107.983 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -79.61 -23.6 42.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.019 0.378 . . . . 2.28 112.019 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.23 -37.42 45.39 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.915 -0.314 . . . . 0.91 111.714 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 p -97.87 -14.14 20.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.771 0.656 . . . . 1.19 112.771 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 63.11 13.05 6.49 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.55 0.69 . . . . 2.08 110.37 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.6 m -84.9 132.16 34.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.326 -0.852 . . . . 0.51 112.136 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -96.5 130.81 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.702 -1.221 . . . . 1.19 107.702 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.443 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 19.9 m -118.23 111.55 18.94 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.519 -0.472 . . . . 0.96 111.023 -176.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 p -101.89 110.76 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.921 -0.77 . . . . 0.3 108.921 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -109.8 123.05 48.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 0.52 112.316 -173.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 . . . . . 0 C--N 1.326 -0.456 0 N-CA-C 109.086 -0.709 . . . . 2.56 109.086 176.008 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.287 0.089 . . . . 22.94 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -64.6 154.49 71.84 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.202 1.935 . . . . 23.54 111.211 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -49.65 119.17 4.38 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.851 2.367 . . . . 25.03 112.378 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.22 -28.57 15.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.868 -0.682 . . . . 26.59 113.335 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -82.95 125.91 31.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.836 0.818 . . . . 26.61 110.155 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 42.7 mt-10 -120.63 136.69 54.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.85 0.357 . . . . 26.95 110.845 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 54.9 ttp -104.82 124.58 49.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.737 -0.838 . . . . 25.77 108.737 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.645 ' HD2' HG21 ' A' ' 92' ' ' VAL . 87.8 mttt -142.07 153.5 44.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.399 -0.593 . . . . 28.23 109.399 -176.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 89.9 m-85 -118.43 159.15 23.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.034 0.445 . . . . 29.77 111.605 -175.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.7 p -95.99 170.48 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.439 -0.948 . . . . 31.75 108.439 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -77.02 14.21 0.91 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.174 0.511 . . . . 34.32 111.509 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -121.28 2.83 10.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 35.43 110.13 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.19 19.68 62.17 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.682 -0.77 . . . . 31.3 112.29 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.68 143.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.59 -0.522 . . . . 31.86 109.59 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 9.5 ttt180 -98.62 131.15 45.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.928 -0.578 . . . . 28.74 111.232 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -138.97 151.52 46.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.048 -0.723 . . . . 30.27 109.048 173.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -114.22 146.28 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.019 0.437 . . . . 28.69 110.467 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.645 HG21 ' HD2' ' A' ' 82' ' ' LYS . 47.5 t -115.73 110.57 32.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.804 -0.635 . . . . 29.13 111.022 -176.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.78 87.09 2.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 107.181 -1.415 . . . . 29.7 107.181 173.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -75.22 -2.25 27.11 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.996 -0.44 . . . . 29.9 111.442 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -76.14 -42.17 47.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 31.42 109.815 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.1 p -104.77 -13.46 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.471 . . . . 33.14 110.172 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 66.09 69.58 0.44 Allowed 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 114.849 -1.068 . . . . 35.29 111.036 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -142.4 156.09 45.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 113.704 -1.589 . . . . 32.59 109.509 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.7 p -107.56 142.78 36.95 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.797 -0.361 . . . . 32.77 110.858 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -150.36 158.7 44.44 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.567 0.223 . . . . 30.32 110.654 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 110.143 -0.317 . . . . 31.76 110.143 179.087 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 . . . . . 0 CA--C 1.532 0.281 0 N-CA-C 109.098 -0.705 . . . . 2.5 109.098 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ptp -108.32 138.22 44.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.383 0.538 . . . . 2.06 109.831 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -70.27 135.11 48.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 1.9 111.545 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 9.3 m-85 -124.96 154.63 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.563 -0.744 . . . . 0.83 109.183 176.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.719 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.4 ptpt -137.12 153.6 50.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.719 0.295 . . . . 2.57 111.254 -178.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.8 tp -141.1 138.64 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.637 -0.71 . . . . 0.33 110.483 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.4 mt -119.64 124.29 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 108.724 -0.843 . . . . 0.62 108.724 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.76 105.64 17.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.224 -0.658 . . . . 0.25 109.224 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -101.65 86.29 2.91 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 120.189 -0.605 . . . . 1.96 109.604 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.593 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -142.43 123.51 2.19 Favored Glycine 0 C--O 1.218 -0.854 0 N-CA-C 109.45 -1.46 . . . . 0.91 109.45 176.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -41.18 -42.44 2.06 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.705 1.002 . . . . 3.26 113.705 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -79.36 -31.61 42.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.168 -0.332 . . . . 1.93 111.885 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -133.62 106.79 7.6 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.139 -0.351 . . . . 1.8 110.831 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 10.3 mtmm -126.36 128.75 47.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.091 0.472 . . . . 2.49 110.955 -177.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.89 -169.17 40.98 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.39 110.991 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.93 163.59 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.217 0.509 . . . . 1.69 111.054 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -161.44 164.36 29.85 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.529 -0.545 . . . . 0.58 109.529 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.1 p -128.82 158.41 38.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.574 0.226 . . . . 0.38 111.231 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 t -156.22 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.987 -0.745 . . . . 0.38 108.987 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -102.46 138.03 39.91 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.958 -0.386 . . . . 2.26 109.958 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.52 162.06 41.35 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 110.361 -0.237 . . . . 0.38 110.361 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.435 HG23 ' OD2' ' A' ' 25' ' ' ASP . 30.1 m -101.51 -9.71 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.302 0.482 . . . . 1.09 112.302 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 19.6 m-20 -137.19 153.15 50.5 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.994 -0.373 . . . . 2.13 109.994 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.82 -39.71 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.38 . . . . 0.59 110.791 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.63 -35.36 80.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 0.48 111.009 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 5.2 m -67.48 -33.0 74.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 0.46 111.06 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -33.4 70.31 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.51 0.672 . . . . 0.28 109.267 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -67.36 -55.81 12.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.851 -1.068 . . . . 1.29 109.515 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 27.4 mmmt -51.06 -43.11 60.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.828 -0.624 . . . . 2.42 112.531 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.62 -50.44 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.733 0.302 . . . . 0.3 111.436 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 6.5 m-85 -66.75 -22.98 66.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.938 0.347 . . . . 1.11 111.938 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 37.6 mtpt -70.78 -43.17 69.27 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.093 -0.336 . . . . 1.09 110.093 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.58 -31.11 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.053 -0.721 . . . . 2.2 109.053 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.573 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 19.2 t80 -66.93 -47.89 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.836 -1.074 . . . . 1.24 110.551 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.18 65.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.009 -0.541 . . . . 0.22 110.43 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -61.96 -45.35 94.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.412 -0.813 . . . . 1.39 110.032 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.2 -24.05 67.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.927 -0.579 . . . . 1.78 111.099 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -94.74 -7.35 40.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 1.78 110.798 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.84 27.93 61.81 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.027 -0.606 . . . . 0.37 113.151 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.22 120.48 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.105 -0.702 . . . . 0.46 109.105 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.02 98.51 3.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.458 -0.792 . . . . 1.86 109.008 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.81 -169.32 16.51 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.768 -0.533 . . . . 0.43 111.768 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.24 144.88 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.697 0.284 . . . . 2.79 111.247 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.0 m95 -114.14 116.1 28.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.934 -0.575 . . . . 0.41 111.45 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 p -109.89 158.95 17.66 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.892 -0.595 . . . . 0.63 109.826 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -151.9 140.17 20.39 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.993 -0.283 . . . . 1.18 111.092 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.68 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.2 p30 -112.3 150.44 30.98 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.512 -0.921 . . . . 2.07 108.512 176.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.9 -60.5 2.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.283 0.845 . . . . 2.28 113.283 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.86 88.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.497 0.925 . . . . 0.91 113.497 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -99.67 -8.09 24.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.314 0.857 . . . . 1.19 113.314 -175.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 56.38 40.2 29.81 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.134 0.493 . . . . 2.08 111.266 177.419 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.0 m -90.05 107.76 19.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.018 -0.537 . . . . 0.51 111.372 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 29.9 m-85 -83.9 128.29 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.698 -0.853 . . . . 1.19 108.698 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.1 m -125.79 121.46 33.38 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.794 -0.362 . . . . 0.96 110.711 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -104.12 112.59 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.479 -0.934 . . . . 0.3 108.479 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.5 m -108.25 124.31 50.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.536 -0.756 . . . . 0.52 111.246 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 . . . . . 0 C--O 1.238 0.47 0 CA-C-N 115.912 -0.586 . . . . 2.56 110.037 178.426 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.235 0.332 0 N-CA-C 109.969 -0.382 . . . . 22.94 109.969 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.76 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 3.0 Cg_exo -76.69 173.28 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.057 1.838 . . . . 23.54 110.35 178.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 65.8 Cg_endo -64.42 128.37 21.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.615 2.21 . . . . 25.03 111.637 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -8.91 61.79 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 120.459 -0.877 . . . . 26.59 114.612 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.76 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.0 m95 -98.3 114.63 27.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.707 1.254 . . . . 26.61 111.161 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.636 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 49.3 mt-10 -105.65 142.68 34.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.419 -0.585 . . . . 26.95 109.419 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -134.85 134.74 41.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.281 -0.266 . . . . 25.77 110.281 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -160.76 157.01 26.16 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.842 -0.429 . . . . 28.23 109.842 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -102.29 148.76 25.07 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.66 -0.246 . . . . 29.77 110.675 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 p -86.96 -178.35 6.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.248 -0.433 . . . . 31.75 110.441 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p -65.26 -38.38 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.409 0.522 . . . . 34.32 112.409 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.05 9.45 14.67 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.812 0.339 . . . . 35.43 111.27 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.25 14.87 67.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.006 -0.616 . . . . 31.3 113.763 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.7 t -86.75 134.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.985 0.393 . . . . 31.86 110.236 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.52 HH21 ' HZ ' ' A' ' 91' ' ' PHE . 48.5 ttt180 -93.35 127.42 38.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.969 -0.559 . . . . 28.74 110.448 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -132.73 155.27 49.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.396 -0.522 . . . . 30.27 110.245 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.52 ' HZ ' HH21 ' A' ' 89' ' ' ARG . 19.5 m-85 -114.43 146.63 40.38 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.203 0.525 . . . . 28.69 110.971 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.636 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.4 t -120.22 103.83 14.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.347 -0.842 . . . . 29.13 110.042 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.7 92.47 2.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.625 -1.25 . . . . 29.7 107.625 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -71.84 -13.01 61.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.958 0.409 . . . . 29.9 110.599 -175.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -74.4 -33.92 63.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 31.42 110.329 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.2 p -112.38 -10.02 13.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.591 0.234 . . . . 33.14 111.293 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 62.31 72.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.084 0.945 . . . . 35.29 110.654 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 p -149.9 156.56 41.98 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.173 -1.376 . . . . 32.59 110.043 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -112.56 126.62 55.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.588 -0.523 . . . . 32.77 109.588 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.7 t -132.09 156.18 46.79 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.109 0.481 . . . . 30.32 111.053 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 . . . . . 0 C--N 1.323 -0.572 0 CA-C-N 115.782 -0.644 . . . . 31.76 110.882 179.405 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.0 m170 . . . . . 0 C--O 1.233 0.188 0 N-CA-C 110.357 -0.238 . . . . 2.5 110.357 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.8 mtp -121.19 137.37 54.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.183 -1.043 . . . . 2.06 108.183 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -83.78 116.14 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 1.9 111.121 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.453 ' CE1' ' HE3' ' A' ' 53' ' ' LYS . 59.3 m-85 -107.91 156.67 18.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.829 -0.623 . . . . 0.83 109.366 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 8.8 ptpp? -134.01 155.19 50.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.303 -0.408 . . . . 2.57 111.59 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.6 tp -136.52 145.03 44.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.33 110.084 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.468 HG12 ' HG2' ' A' ' 18' ' ' GLU . 82.8 mt -124.09 123.35 66.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.082 -0.71 . . . . 0.62 109.082 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.4 mm? -92.15 104.57 16.94 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.304 -0.628 . . . . 0.25 109.304 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 6.7 m120 -95.18 85.22 4.24 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.784 -0.821 . . . . 1.96 108.784 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.769 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -144.42 144.23 13.09 Favored Glycine 0 C--O 1.222 -0.618 0 CA-C-N 115.786 -0.643 . . . . 0.91 112.406 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -49.38 -45.65 46.24 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.41 0.684 . . . . 3.26 112.564 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -104.92 8.7 34.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.379 . . . . 1.93 111.056 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.05 95.58 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.983 -0.747 . . . . 1.8 108.983 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.769 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 88.7 mttt -133.52 111.15 10.46 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.687 -0.688 . . . . 2.49 109.993 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.36 -172.4 44.84 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.496 -1.042 . . . . 0.39 110.496 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HG2' HG12 ' A' ' 9' ' ' ILE . 27.4 mt-10 -135.27 167.08 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.25 0.525 . . . . 1.69 110.658 -178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.454 HG21 ' CE2' ' A' ' 36' ' ' TYR . 15.3 t -159.41 161.41 35.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.648 . . . . 0.58 109.249 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -138.1 159.18 42.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.988 0.423 . . . . 0.38 111.672 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -159.32 156.56 28.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.734 -0.666 . . . . 0.38 109.247 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.73 124.5 48.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.064 0.459 . . . . 2.26 109.852 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.82 157.55 46.49 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.957 -0.386 . . . . 0.38 109.957 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 -25.76 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 111.595 0.22 . . . . 1.09 111.595 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -135.95 158.17 45.05 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.871 -0.418 . . . . 2.13 109.871 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.02 65.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.562 -0.29 . . . . 0.59 111.047 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.97 74.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.078 0.466 . . . . 0.48 110.384 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -73.41 -28.88 62.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.462 -0.79 . . . . 0.46 110.454 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.03 -37.76 64.23 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.163 -0.472 . . . . 0.28 110.193 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.29 -57.98 8.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.72 -0.673 . . . . 1.29 109.464 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 31' ' ' LYS . 29.8 mmtp -48.71 -45.22 38.98 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.977 -1.011 . . . . 2.42 113.362 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.21 -45.5 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 121.187 -0.205 . . . . 0.3 111.193 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.626 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.3 m-85 -71.0 -16.88 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.891 -0.323 . . . . 1.11 111.475 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -67.83 -44.53 77.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.502 -0.555 . . . . 1.09 109.502 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.464 ' OE1' ' HA ' ' A' ' 35' ' ' GLN . 6.3 tp60 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 2.2 109.231 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.626 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 33.8 t80 -68.26 -48.18 65.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.025 -0.989 . . . . 1.24 110.419 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.7 -32.18 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.22 110.039 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.47 -41.62 98.91 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.689 -0.687 . . . . 1.39 109.598 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.23 -20.1 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.351 -0.84 . . . . 1.78 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -93.63 -12.53 29.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.528 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.87 29.62 41.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.162 -0.542 . . . . 0.37 113.135 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.15 116.73 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 117.611 0.706 . . . . 0.46 111.064 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -114.36 132.53 56.17 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.272 -1.01 . . . . 1.86 108.272 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.02 -175.23 47.15 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.801 -1.19 . . . . 0.43 112.772 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -72.65 150.96 42.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.985 0.421 . . . . 2.79 110.499 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -111.71 103.99 12.31 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.785 -0.643 . . . . 0.41 110.803 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -104.63 155.19 19.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 0.63 109.927 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -148.22 149.75 32.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 1.18 110.864 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -129.62 131.16 46.39 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.354 -0.98 . . . . 2.07 108.354 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.99 -22.1 31.49 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.266 -0.271 . . . . 2.28 111.569 -173.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.44 -36.78 57.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.855 0.36 . . . . 0.91 111.245 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.2 p -99.59 -17.45 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.362 0.504 . . . . 1.19 112.362 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE3' ' CE1' ' A' ' 6' ' ' TYR . 28.0 mmmt 61.35 47.8 6.57 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.664 -0.865 . . . . 2.08 108.664 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.572 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 9.8 m -117.42 124.77 49.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.706 -1.134 . . . . 0.51 112.029 -174.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.553 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.4 m-85 -95.48 130.1 42.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.674 -0.862 . . . . 1.19 108.674 173.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -124.56 124.09 41.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.087 -0.383 . . . . 0.96 110.941 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -107.47 109.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.26 -1.015 . . . . 0.3 108.26 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.44 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 5.4 m -97.99 118.15 33.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.977 -0.556 . . . . 0.52 111.048 -175.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.723 -0.671 . . . . 2.56 109.458 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 110.006 -0.368 . . . . 22.94 110.006 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.28 150.63 83.87 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.383 2.055 . . . . 23.54 111.966 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -49.5 120.43 5.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.717 2.278 . . . . 25.03 111.95 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.13 -29.53 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.297 -0.954 . . . . 26.59 113.134 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -90.07 126.0 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 117.507 0.654 . . . . 26.61 110.325 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.3 150.15 45.74 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 122.103 -0.373 . . . . 26.95 110.054 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -128.14 127.37 42.86 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.312 -0.625 . . . . 25.77 109.312 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -141.12 160.28 40.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.441 -0.577 . . . . 28.23 109.441 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -112.26 149.16 32.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.617 0.246 . . . . 29.77 110.889 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.9 p -83.45 178.86 7.84 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.661 -0.866 . . . . 31.75 108.661 175.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 m -68.64 -11.52 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.66 0.985 . . . . 34.32 113.66 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 7.9 15.0 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.886 0.374 . . . . 35.43 111.2 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.91 63.65 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.14 -1.029 . . . . 31.3 112.982 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.11 132.94 30.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.607 -0.886 . . . . 31.86 108.607 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.69 145.07 30.87 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.808 0.337 . . . . 28.74 111.567 -175.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -138.56 155.16 48.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.245 -0.65 . . . . 30.27 109.245 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -107.86 155.5 20.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 120.419 -0.512 . . . . 28.69 110.089 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.5 102.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.942 -0.572 . . . . 29.13 110.266 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.35 86.31 1.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.186 -1.042 . . . . 29.7 108.186 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -70.71 -14.91 62.63 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.205 -0.309 . . . . 29.9 111.63 -174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.643 HD22 ' N ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -82.65 -17.79 43.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.789 0.292 . . . . 31.42 111.789 179.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.643 ' N ' HD22 ' A' ' 95' ' ' ASN . 2.6 p -120.85 -1.61 9.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.72 0.295 . . . . 33.14 110.684 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 56.74 67.01 1.05 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.974 0.892 . . . . 35.29 111.182 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 t -159.74 170.58 21.22 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.326 -1.306 . . . . 32.59 109.968 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 p -124.51 101.52 7.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.199 -0.455 . . . . 32.77 110.761 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 t -89.96 159.59 16.83 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.796 -0.446 . . . . 30.32 109.796 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.44 -0.961 0 C-N-CA 119.491 -0.884 . . . . 31.76 110.823 175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 39.3 m170 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 120.849 0.357 . . . . 2.5 110.983 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.5 mtp -111.6 138.84 47.61 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.343 -0.984 . . . . 2.06 108.343 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -80.35 118.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.858 0.361 . . . . 1.9 111.271 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 54.6 m-85 -120.03 139.18 52.92 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.139 -0.689 . . . . 0.83 109.139 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HB3' HG22 ' A' ' 20' ' ' THR . 14.8 ptpt -122.69 158.43 30.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.32 0.581 . . . . 2.57 111.43 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -139.49 137.55 35.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.961 -1.018 . . . . 0.33 110.159 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 18' ' ' GLU . 34.5 mt -116.37 122.38 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.155 -0.683 . . . . 0.62 109.155 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -92.88 107.91 19.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 109.142 -0.688 . . . . 0.25 109.142 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.36 85.88 2.56 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.886 -1.154 . . . . 1.96 107.886 177.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.647 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.33 139.17 7.13 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.488 -0.778 . . . . 0.91 111.544 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 11.3 mmmm -47.73 -31.63 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.733 0.813 . . . . 3.26 112.763 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 p -80.19 -33.25 38.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 1.93 111.783 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -150.97 112.7 4.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.459 -0.337 . . . . 1.8 111.037 -176.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 1.5 mtmt -122.18 111.9 17.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 2.49 109.96 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.64 -171.72 43.98 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.305 -1.118 . . . . 0.39 110.305 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -152.66 157.39 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.49 0.645 . . . . 1.69 111.693 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -155.22 179.63 8.97 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.138 -0.483 . . . . 0.58 110.568 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 7' ' ' LYS . 52.8 p -133.69 157.7 45.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 111.999 0.37 . . . . 0.38 111.999 -177.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -146.14 156.71 43.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.788 -0.819 . . . . 0.38 108.788 175.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 49.0 mt-10 -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.651 -0.249 . . . . 2.26 110.497 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.66 158.48 43.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.696 -0.483 . . . . 0.38 109.696 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -103.3 6.83 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 117.787 0.267 . . . . 1.09 111.557 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -153.12 156.9 39.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.717 0.294 . . . . 2.13 110.558 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.77 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.905 -0.589 . . . . 0.59 111.139 -177.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.67 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.04 0.448 . . . . 0.48 110.256 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -64.12 -29.85 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.524 -0.762 . . . . 0.46 110.395 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.22 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.195 0.521 . . . . 0.28 109.965 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 22.0 tt0 -63.22 -56.9 12.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.917 -1.038 . . . . 1.29 109.894 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -48.57 -44.54 36.75 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.131 -0.94 . . . . 2.42 113.487 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -66.68 -47.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.706 0.289 . . . . 0.3 111.413 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.6 m-85 -66.65 -20.93 66.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.579 -0.282 . . . . 1.11 111.289 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 11.1 mtpt -68.76 -41.17 79.23 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.658 -0.497 . . . . 1.09 109.658 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -70.39 -33.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.873 -0.788 . . . . 2.2 108.873 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.472 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 38.1 t80 -65.75 -50.28 65.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.784 -1.098 . . . . 1.24 110.946 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.52 -33.64 71.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.094 0.473 . . . . 0.22 110.285 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -56.53 -57.0 14.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.081 -0.963 . . . . 1.39 111.517 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -17.86 64.07 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.183 0.438 . . . . 1.78 112.183 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -86.54 -13.6 45.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.994 0.426 . . . . 1.78 110.278 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.23 28.81 26.89 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.543 -0.753 . . . . 0.37 112.584 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.33 114.59 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 120.979 0.418 . . . . 0.46 110.388 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -144.14 97.01 2.98 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.74 0.781 . . . . 1.86 109.448 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -132.74 -166.93 11.62 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.463 -1.055 . . . . 0.43 110.463 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.627 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 13.4 pt-20 -53.45 133.43 40.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.789 0.328 . . . . 2.79 110.169 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -108.9 118.49 36.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.486 -0.325 . . . . 0.41 110.626 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.473 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 25.6 p -126.36 149.03 49.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.157 -0.474 . . . . 0.63 110.703 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -141.23 137.56 32.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.18 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -121.85 135.66 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.906 -1.146 . . . . 2.07 107.906 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -87.9 -10.26 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 2.28 110.984 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.14 -36.57 64.16 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.64 -0.424 . . . . 0.91 110.837 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -109.69 -15.12 14.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.677 0.621 . . . . 1.19 112.677 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 6' ' ' TYR . 14.1 mptt 64.9 34.58 9.02 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.282 0.563 . . . . 2.08 110.23 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.404 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.7 m -101.9 119.02 38.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 0.51 112.07 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 37.2 m-85 -89.72 127.73 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.202 -1.036 . . . . 1.19 108.202 171.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.473 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 12.7 m -120.09 118.26 30.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.12 -0.491 . . . . 0.96 110.844 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -113.86 110.83 33.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.458 0.647 . . . . 0.3 109.324 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.627 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 25.0 m -109.83 122.73 48.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.762 -0.653 . . . . 0.52 111.812 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 N--CA 1.471 0.584 0 CA-C-N 116.075 -0.512 . . . . 2.56 110.401 178.457 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.233 0.194 0 N-CA-C 109.696 -0.483 . . . . 22.94 109.696 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 17.1 Cg_exo -69.6 147.89 64.92 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.938 1.759 . . . . 23.54 111.02 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -47.09 125.23 9.92 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.797 2.331 . . . . 25.03 112.052 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.61 -26.42 24.02 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.662 -0.78 . . . . 26.59 112.999 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.501 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.5 m95 -91.7 142.67 27.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.109 0.455 . . . . 26.61 110.552 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.617 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 9.6 tp10 -128.75 156.72 43.08 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.91 -0.774 . . . . 26.95 108.91 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.496 ' SD ' ' HD2' ' A' ' 89' ' ' ARG . 14.9 tmm? -138.33 120.6 15.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.188 -0.301 . . . . 25.77 110.188 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HE2' HG21 ' A' ' 92' ' ' VAL . 40.4 mtmt -141.52 163.29 33.33 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 109.85 -0.426 . . . . 28.23 109.85 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -107.58 158.57 17.13 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.648 0.261 . . . . 29.77 111.278 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.5 p -86.44 -161.54 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.041 -0.527 . . . . 31.75 109.674 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 p -85.48 -4.66 59.23 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.423 0.527 . . . . 34.32 112.423 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -120.81 14.0 11.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.903 0.382 . . . . 35.43 111.466 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.92 15.56 64.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 31.3 113.656 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.25 126.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.191 0.496 . . . . 31.86 109.937 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.496 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 1.3 ttt180 -89.18 127.38 35.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.77 -0.65 . . . . 28.74 111.847 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -122.34 153.26 39.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.891 -0.595 . . . . 30.27 109.726 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -98.1 144.47 27.56 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.129 -0.693 . . . . 28.69 109.129 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 48.2 t -127.66 112.64 28.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 29.13 111.258 -172.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.18 78.44 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.336 -0.616 . . . . 29.7 109.336 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -52.07 -20.25 2.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.092 0.557 . . . . 29.9 111.552 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -79.45 -31.0 42.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.105 -0.498 . . . . 31.42 112.005 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.6 p -117.05 -5.62 11.41 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 33.14 111.229 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 61.01 76.93 0.35 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.549 -0.751 . . . . 35.29 111.072 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.91 158.83 39.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.411 -1.268 . . . . 32.59 110.221 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.6 p -116.19 136.82 52.67 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.68 -0.489 . . . . 32.77 109.68 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -150.43 148.77 29.16 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.456 -0.498 . . . . 30.32 111.086 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.05 -0.523 . . . . 31.76 110.04 178.182 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.2 m80 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 110.287 -0.264 . . . . 2.5 110.287 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.6 tpt -138.61 171.52 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.6 -0.889 . . . . 2.06 108.6 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -105.2 120.04 40.54 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.147 -0.478 . . . . 1.9 110.909 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -114.87 138.29 50.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.452 -0.944 . . . . 0.83 108.452 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -123.02 163.38 20.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.224 0.535 . . . . 2.57 111.317 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 55' ' ' TYR . 14.8 tp -140.53 144.05 35.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.227 -0.897 . . . . 0.33 109.481 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.785 HG12 ' HG2' ' A' ' 18' ' ' GLU . 96.7 mt -119.01 123.09 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.043 -0.725 . . . . 0.62 109.043 177.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.85 95.02 9.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.27 -0.641 . . . . 0.25 109.27 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.418 ' HB2' HG23 ' A' ' 58' ' ' THR . 80.6 m-20 -87.85 81.75 7.48 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 107.689 -1.226 . . . . 1.96 107.689 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.31 129.0 4.03 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.233 -1.147 . . . . 0.91 110.233 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -55.26 -20.02 9.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.525 0.565 . . . . 3.26 112.525 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 p -79.88 -48.36 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.064 0.459 . . . . 1.93 110.73 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tp -140.29 113.34 8.3 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.95 -0.568 . . . . 1.8 110.312 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.3 mppt? -111.66 125.58 54.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.678 -0.49 . . . . 2.49 109.678 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.47 -169.66 41.38 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.568 -0.825 . . . . 0.39 112.097 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.785 ' HG2' HG12 ' A' ' 9' ' ' ILE . 43.0 mt-10 -137.64 167.63 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 1.69 110.564 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.504 HG21 ' CE1' ' A' ' 36' ' ' TYR . 14.5 t -159.78 166.05 31.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 0.58 110.072 177.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -136.94 159.98 40.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.691 0.281 . . . . 0.38 111.282 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -159.8 155.86 26.53 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.324 -0.398 . . . . 0.38 110.224 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -91.68 128.85 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.021 -0.733 . . . . 2.26 109.021 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.16 154.15 37.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.583 -0.447 . . . . 0.38 110.382 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.422 HG23 ' OD2' ' A' ' 25' ' ' ASP . 27.9 m -106.05 2.78 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.743 0.306 . . . . 1.09 111.585 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.434 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 11.8 m-20 -145.98 156.53 43.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.158 -0.682 . . . . 2.13 109.158 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.35 -40.18 27.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.446 -0.575 . . . . 0.59 109.446 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.14 90.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.807 -0.633 . . . . 0.48 111.114 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 6.0 m -67.88 -29.2 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.46 110.666 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.9 62.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.794 -0.447 . . . . 0.28 109.794 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.637 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 13.2 tt0 -61.1 -57.99 10.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.628 -0.714 . . . . 1.29 109.886 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.3 -43.71 61.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.823 0.675 . . . . 2.42 112.823 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 28' ' ' THR . 63.8 t -71.03 -49.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.724 0.297 . . . . 0.3 111.121 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.495 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.7 m-30 -66.78 -20.0 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 1.11 111.932 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 34.0 mtpt -73.16 -41.76 63.55 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.83 -0.348 . . . . 1.09 110.101 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -65.69 -32.53 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.91 -0.774 . . . . 2.2 108.91 174.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.504 ' CE1' HG21 ' A' ' 19' ' ' THR . 18.0 t80 -65.1 -50.19 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.764 -1.107 . . . . 1.24 110.428 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.93 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.655 -0.702 . . . . 0.22 110.271 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.56 -42.65 92.91 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.346 -0.843 . . . . 1.39 111.252 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -25.79 66.38 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.114 0.483 . . . . 1.78 111.177 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -102.72 1.59 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 1.78 111.197 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.51 29.09 64.32 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.054 -0.593 . . . . 0.37 113.296 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.3 116.11 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.868 0.366 . . . . 0.46 110.597 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -150.71 129.54 12.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.747 -0.661 . . . . 1.86 109.427 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.413 ' O ' ' HD1' ' A' ' 46' ' ' TRP . . . -170.28 -168.4 32.06 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.843 -0.903 . . . . 0.43 110.843 -174.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.9 128.79 28.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.005 0.431 . . . . 2.79 110.46 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.64 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.8 m95 -106.75 113.53 27.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.325 -0.852 . . . . 0.41 110.437 -177.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 p -124.71 158.46 33.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 0.63 110.791 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -139.17 152.87 47.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.235 . . . . 1.18 110.724 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.604 ' HB3' HG22 ' A' ' 52' ' ' THR . 2.8 t70 -133.3 114.97 14.36 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.974 -0.751 . . . . 2.07 108.974 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.09 -36.73 80.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.039 0.447 . . . . 2.28 111.415 -175.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.72 63.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.672 -0.695 . . . . 0.91 112.484 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.604 HG22 ' HB3' ' A' ' 49' ' ' ASP . 12.8 t -130.13 3.9 4.81 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.826 1.047 . . . . 1.19 113.826 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 44.53 35.09 1.25 Allowed 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.253 0.549 . . . . 2.08 111.39 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -112.38 117.36 32.23 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.912 -0.585 . . . . 0.51 110.958 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.472 ' O ' HD12 ' A' ' 8' ' ' LEU . 17.2 m-85 -83.65 137.65 33.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 1.19 109.327 173.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.43 121.84 39.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.231 -0.44 . . . . 0.96 111.85 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -115.0 118.58 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.87 -1.53 . . . . 0.3 106.87 175.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 m -124.37 120.07 31.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.292 0.567 . . . . 0.52 112.18 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 114.743 -1.117 . . . . 2.56 109.879 175.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 81' ' ' MET . 3.1 mm? . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 109.698 -0.482 . . . . 22.94 109.698 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.532 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 26.1 Cg_exo -64.17 160.96 35.86 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.186 1.924 . . . . 23.54 110.444 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -60.24 124.59 15.52 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.658 1.572 . . . . 25.03 110.817 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.93 -25.92 26.46 Favored Glycine 0 C--N 1.314 -0.686 0 C-N-CA 120.304 -0.95 . . . . 26.59 113.697 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.532 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -92.21 141.88 28.09 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 117.883 0.842 . . . . 26.61 111.739 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -129.07 148.89 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.568 -0.53 . . . . 26.95 109.568 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.516 ' HB2' HD11 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -123.28 131.23 53.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.522 -0.548 . . . . 25.77 109.522 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -150.45 156.39 41.37 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.735 -0.469 . . . . 28.23 109.735 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -111.86 151.83 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 110.391 -0.225 . . . . 29.77 110.391 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.7 p -88.06 166.3 14.55 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.509 -1.293 . . . . 31.75 107.509 173.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 p -75.71 14.97 0.55 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.253 0.478 . . . . 34.32 111.759 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -121.38 4.38 10.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 35.43 109.686 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.04 15.42 72.42 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.586 -0.734 . . . . 31.3 112.913 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -88.76 138.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 31.86 110.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -96.02 114.99 26.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.858 -0.61 . . . . 28.74 110.96 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -127.03 157.45 39.57 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.646 -0.502 . . . . 30.27 109.646 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -123.32 159.9 27.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 28.69 110.66 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 49.0 t -129.31 125.87 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.396 . . . . 29.13 111.417 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.27 103.55 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.452 -1.314 . . . . 29.7 107.452 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -72.21 -14.14 61.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.513 0.597 . . . . 29.9 110.942 -175.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -76.98 -47.15 21.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.449 -0.341 . . . . 31.42 110.412 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.8 p -92.29 -16.87 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.591 0.234 . . . . 33.14 110.423 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 67.26 40.02 2.88 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.312 1.053 . . . . 35.29 109.862 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.0 p -113.99 156.75 23.49 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.467 -1.697 . . . . 32.59 110.438 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.8 p -106.33 126.8 52.69 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.801 -0.814 . . . . 32.77 108.801 176.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 t -139.57 144.95 38.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.229 -0.588 . . . . 30.32 111.355 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.467 -0.938 . . . . 31.76 108.467 174.464 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 108.644 -0.873 . . . . 2.5 108.644 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mmm -110.01 138.18 46.75 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.754 -0.378 . . . . 2.06 110.194 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -80.47 116.37 20.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 1.9 110.634 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -102.63 146.87 27.54 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.717 -0.846 . . . . 0.83 108.717 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HB3' HG23 ' A' ' 54' ' ' THR . 56.6 tttm -117.11 140.84 49.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 2.57 111.084 -171.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 21.8 tp -124.48 144.57 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.736 -0.385 . . . . 0.33 110.285 174.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.4 mt -132.23 115.31 25.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.516 -0.766 . . . . 0.62 109.031 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.519 HD21 ' HE1' ' A' ' 36' ' ' TYR . 1.6 mm? -91.83 109.84 21.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.105 -0.702 . . . . 0.25 109.105 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -106.86 85.57 2.17 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.525 -0.917 . . . . 1.96 108.525 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.621 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -146.35 144.41 12.74 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.284 -0.871 . . . . 0.91 111.129 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 84.4 mttt -54.91 -25.37 28.74 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.857 0.863 . . . . 3.26 113.223 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 m -97.39 -40.52 8.67 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.29 -0.564 . . . . 1.93 110.549 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 15' ' ' LEU . 2.7 mm? -122.3 100.48 6.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.734 0.302 . . . . 1.8 111.456 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -113.68 116.88 30.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.521 -0.918 . . . . 2.49 108.521 173.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.55 -167.71 38.89 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.499 -0.857 . . . . 0.39 111.801 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -139.88 175.28 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.073 0.464 . . . . 1.69 110.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -170.26 157.6 6.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.254 -0.884 . . . . 0.58 109.561 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -130.49 160.67 33.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.357 -0.383 . . . . 0.38 110.968 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -151.94 149.25 28.72 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.807 -0.442 . . . . 0.38 109.807 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.77 109.34 21.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.336 -0.616 . . . . 2.26 109.336 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.18 162.77 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.874 -0.417 . . . . 0.38 109.874 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -95.22 -46.82 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 O-C-N 122.226 -0.296 . . . . 1.09 111.572 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -103.29 156.94 17.36 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 122.076 -0.39 . . . . 2.13 110.54 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -72.47 -42.43 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 0.59 110.576 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.53 76.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.022 -0.535 . . . . 0.48 110.751 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -70.62 -31.42 68.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 0.46 110.452 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.93 -33.09 63.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.729 -0.669 . . . . 0.28 110.235 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -63.25 -53.7 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.326 -0.62 . . . . 1.29 109.326 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -46.63 -43.92 17.9 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.627 -0.715 . . . . 2.42 112.759 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.38 -47.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.728 0.299 . . . . 0.3 111.067 -175.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 12.6 m-85 -71.82 -16.11 62.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 1.11 111.782 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -70.26 -40.11 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.146 -0.687 . . . . 1.09 109.146 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.534 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 1.6 tp60 -69.12 -41.86 76.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.353 -0.981 . . . . 2.2 108.353 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.519 ' HE1' HD21 ' A' ' 10' ' ' LEU . 71.2 t80 -58.47 -54.35 48.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.863 -1.517 . . . . 1.24 111.238 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.33 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.207 0.527 . . . . 0.22 110.254 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.04 -31.5 67.97 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.791 -0.64 . . . . 1.39 109.7 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.66 -38.62 91.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.292 -0.867 . . . . 1.78 110.972 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.07 -16.39 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 1.78 111.132 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.96 33.68 17.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.635 -0.793 . . . . 0.37 113.462 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -97.08 115.42 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.235 0.54 . . . . 0.46 110.296 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -126.52 133.54 51.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.327 -0.852 . . . . 1.86 109.484 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 178.32 -170.91 43.2 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.833 -0.907 . . . . 0.43 110.833 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -58.84 133.59 56.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.141 0.496 . . . . 2.79 110.591 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -102.92 102.59 12.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.86 -0.609 . . . . 0.41 109.942 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.526 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 6.4 p -97.7 156.7 16.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.212 -0.449 . . . . 0.63 111.148 -178.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 17.2 t80 -151.28 147.97 27.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.774 -0.825 . . . . 1.18 108.774 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.29 150.37 42.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.678 -0.86 . . . . 2.07 108.678 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.55 -14.07 41.24 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 121.14 -0.224 . . . . 2.28 111.383 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.65 -44.81 13.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.461 0.541 . . . . 0.91 112.461 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 p -116.51 -2.27 12.04 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.72 1.007 . . . . 1.19 113.72 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.584 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER 58.85 42.09 20.34 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.869 0.843 . . . . 2.08 110.1 -178.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 7' ' ' LYS . 24.7 m -93.34 124.03 37.04 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.722 -1.126 . . . . 0.51 110.429 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 40.2 m-85 -100.48 129.7 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.89 -0.782 . . . . 1.19 108.89 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.526 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 99.3 m -129.07 131.59 47.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 0.96 111.466 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.6 p -115.02 116.73 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.744 -0.836 . . . . 0.3 108.744 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.482 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 9.6 m -110.84 134.11 52.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.856 -0.611 . . . . 0.52 111.405 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 13.1 mt-10 . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 109.71 -0.478 . . . . 2.56 109.71 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 81' ' ' MET . 3.8 mm? . . . . . 0 C--O 1.235 0.328 0 N-CA-C 111.694 0.257 . . . . 22.94 111.694 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 75' ' ' LEU . 38.1 Cg_exo -68.74 158.03 59.43 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.377 2.051 . . . . 23.54 110.92 173.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -48.98 123.38 9.78 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.915 2.41 . . . . 25.03 113.021 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.78 -26.58 23.88 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.596 -0.811 . . . . 26.59 114.06 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -88.0 140.34 29.59 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.658 0.729 . . . . 26.61 111.571 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.64 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 63.2 mt-10 -120.49 139.63 52.61 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.757 -0.461 . . . . 26.95 109.757 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.531 ' HB2' HD11 ' A' ' 75' ' ' LEU . 47.9 ttm -115.32 120.59 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.938 -0.393 . . . . 25.77 109.938 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -145.33 152.75 40.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.495 -0.557 . . . . 28.23 109.495 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -113.5 151.92 30.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.308 -0.256 . . . . 29.77 110.308 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 p -83.61 174.35 10.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.786 -0.82 . . . . 31.75 108.786 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -73.99 4.74 5.0 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.12 0.785 . . . . 34.32 113.12 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.695 ' HG3' HG23 ' A' ' 88' ' ' VAL . 10.0 pt-20 -121.7 5.79 10.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 35.43 110.789 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.86 9.2 58.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.522 -0.847 . . . . 31.3 113.691 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' HG3' ' A' ' 86' ' ' GLU . 86.6 t -81.44 130.09 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 117.374 0.587 . . . . 31.86 109.857 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -91.66 121.0 32.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 28.74 110.441 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -127.74 154.34 45.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.612 -0.514 . . . . 30.27 109.612 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.475 ' HE1' ' HE2' ' A' ' 81' ' ' MET . 92.0 m-85 -116.19 155.13 28.83 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 120.889 0.376 . . . . 28.69 110.833 -178.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.64 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 37.1 t -132.87 127.88 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 29.13 111.243 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.41 109.49 20.39 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.572 -1.269 . . . . 29.7 107.572 174.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -74.32 -25.83 59.79 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.066 -0.396 . . . . 29.9 111.853 -172.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' HG23 ' A' ' 96' ' ' THR . 5.8 p30 -71.84 -46.81 56.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.52 0.2 . . . . 31.42 111.459 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.452 HG23 ' OD1' ' A' ' 95' ' ' ASN . 14.3 p -90.06 -12.71 37.68 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.175 -0.328 . . . . 33.14 110.783 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 57.7 62.94 1.95 Allowed 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 122.198 0.999 . . . . 35.29 110.466 -177.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.0 p -135.95 154.7 51.02 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 113.514 -1.676 . . . . 32.59 110.55 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 p -108.64 137.22 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.72 . . . . 32.77 109.057 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 133.71 20.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.125 -0.63 . . . . 30.32 111.635 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 . . . . . 0 N--CA 1.447 -0.576 0 CA-C-N 115.179 -0.919 . . . . 31.76 109.125 175.312 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 109.27 -0.641 . . . . 2.5 109.27 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -122.74 136.48 54.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.322 -0.251 . . . . 2.06 110.322 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.422 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 4.3 tp-100 -88.57 118.69 28.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.9 110.058 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -114.86 149.74 36.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.727 -0.842 . . . . 0.83 108.727 177.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HG3' ' OG1' ' A' ' 54' ' ' THR . 10.3 pttt -123.65 161.85 24.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 2.57 111.257 178.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 15.5 tp -141.29 141.72 33.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.022 -0.99 . . . . 0.33 109.724 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.1 mt -121.37 112.36 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.648 -0.871 . . . . 0.62 108.648 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -83.71 102.01 11.96 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.379 -0.6 . . . . 0.25 109.379 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -97.4 82.36 3.11 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 108.224 -1.028 . . . . 1.96 108.224 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.69 121.92 2.14 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 109.959 -1.256 . . . . 0.91 109.959 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -58.8 -13.47 6.22 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.288 0.477 . . . . 3.26 112.288 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -80.98 -38.07 28.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.057 0.456 . . . . 1.93 110.308 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.4 tm? -157.01 117.32 3.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.632 -0.877 . . . . 1.8 108.632 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.1 mppt? -111.6 141.37 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.915 0.388 . . . . 2.49 110.066 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.417 ' C ' ' HG3' ' A' ' 18' ' ' GLU . . . 178.89 -177.72 48.55 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.058 -0.591 . . . . 0.39 111.737 -176.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 17' ' ' GLY . 5.1 mt-10 -143.79 165.77 26.76 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.347 -0.612 . . . . 1.69 109.347 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.52 HG21 ' CE2' ' A' ' 36' ' ' TYR . 13.4 t -169.4 168.64 9.42 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.703 -0.399 . . . . 0.58 111.455 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.422 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 17.6 p -134.29 158.62 43.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.86 -0.609 . . . . 0.38 110.354 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -156.75 151.15 25.38 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.92 -0.4 . . . . 0.38 109.92 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -92.12 130.54 37.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.597 -0.519 . . . . 2.26 109.597 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.0 158.7 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 0.38 109.544 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 m -103.91 6.63 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.306 . . . . 1.09 111.626 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -165.36 160.23 17.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.616 -0.513 . . . . 2.13 109.616 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.29 -46.59 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.355 -0.384 . . . . 0.59 111.386 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -25.05 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.48 110.831 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -75.15 -27.75 59.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 0.46 110.694 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.24 -38.59 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.28 110.117 -177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.5 tt0 -55.07 -59.74 4.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.108 -0.951 . . . . 1.29 110.136 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -51.32 -38.65 54.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.374 -0.83 . . . . 2.42 112.257 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.9 t -75.73 -56.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.747 0.308 . . . . 0.3 111.058 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.445 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -60.8 -24.98 66.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.283 -0.417 . . . . 1.11 112.041 -179.534 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.641 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 32.9 mtpt -70.22 -39.65 74.98 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.053 -0.404 . . . . 1.09 110.721 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.05 -31.04 67.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.772 -0.825 . . . . 2.2 108.772 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.52 ' CE2' HG21 ' A' ' 19' ' ' THR . 20.2 t80 -63.6 -52.83 59.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.881 -1.054 . . . . 1.24 109.954 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . -64.63 -34.8 79.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.37 -0.832 . . . . 0.22 110.3 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.61 -40.4 91.71 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.415 -0.812 . . . . 1.39 111.321 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.02 -27.77 69.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 1.78 111.024 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -95.18 -3.73 47.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 1.78 110.695 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.15 24.31 71.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.02 -0.609 . . . . 0.37 112.469 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.483 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 91.1 t -104.92 100.39 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-O 121.254 0.55 . . . . 0.46 110.531 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -133.75 134.85 43.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.543 -0.753 . . . . 1.86 109.527 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.68 -168.97 35.44 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.102 -0.799 . . . . 0.43 111.102 -175.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 141.1 55.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 2.79 110.93 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.641 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.2 m95 -113.5 125.36 54.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.305 0.574 . . . . 0.41 111.552 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.505 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.7 p -124.55 156.04 38.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.569 -0.741 . . . . 0.63 109.854 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -139.39 140.26 37.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.899 -0.32 . . . . 1.18 111.072 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.738 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.9 p30 -117.52 146.34 43.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.798 -0.816 . . . . 2.07 108.798 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.77 -28.28 16.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.524 0.678 . . . . 2.28 109.179 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.46 77.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.98 -1.009 . . . . 0.91 112.546 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.638 HG23 ' OG1' ' A' ' 54' ' ' THR . 15.0 t -130.95 17.21 5.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.92 -0.712 . . . . 1.19 112.292 -178.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 43.45 39.83 2.42 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.418 0.628 . . . . 2.08 110.407 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.738 ' HB ' ' OD1' ' A' ' 49' ' ' ASP . 83.8 m -107.09 125.26 50.83 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.429 -0.805 . . . . 0.51 112.351 -174.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 36.5 m-85 -89.72 130.1 36.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 1.19 109.136 176.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.505 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 9.1 m -119.82 117.01 27.04 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.837 -0.345 . . . . 0.96 110.624 -179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.1 p -105.57 127.54 60.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.679 -1.23 . . . . 0.3 107.679 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -121.87 115.21 22.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.966 -0.561 . . . . 0.52 111.62 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 114.901 -1.045 . . . . 2.56 110.925 177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.235 0.314 0 N-CA-C 109.817 -0.438 . . . . 22.94 109.817 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.582 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 14.4 Cg_exo -75.07 159.97 40.49 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.126 1.884 . . . . 23.54 110.523 177.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -62.58 129.06 25.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 121.878 1.719 . . . . 25.03 110.974 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.24 -27.55 19.53 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.667 -0.778 . . . . 26.59 113.044 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.582 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 74.4 m95 -90.69 142.05 28.15 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 117.303 0.551 . . . . 26.61 110.987 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.629 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 10.4 tp10 -123.56 146.37 48.17 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.85 -0.426 . . . . 26.95 109.85 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.9 ttt -129.1 128.08 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 25.77 110.387 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -149.98 160.2 43.8 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.173 -0.677 . . . . 28.23 109.173 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -106.43 150.79 25.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.723 0.297 . . . . 29.77 111.303 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.2 p -86.53 -173.7 4.64 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.391 -0.596 . . . . 31.75 109.391 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -85.53 10.95 11.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.944 0.402 . . . . 34.32 111.835 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -120.67 0.18 10.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.177 -0.465 . . . . 35.43 109.776 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.68 18.58 54.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.986 -0.626 . . . . 31.3 112.762 -178.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.1 t -95.77 130.6 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.032 0.444 . . . . 31.86 111.323 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.639 ' HE ' ' HE1' ' A' ' 91' ' ' PHE . 52.7 ttt180 -79.76 116.57 20.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.65 -0.704 . . . . 28.74 110.806 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -121.49 158.7 27.86 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.487 -0.56 . . . . 30.27 109.487 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.639 ' HE1' ' HE ' ' A' ' 89' ' ' ARG . 22.7 m-30 -115.56 155.87 26.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.212 0.529 . . . . 28.69 111.343 -176.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 9.6 t -125.95 104.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.604 -0.725 . . . . 29.13 109.535 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -75.93 122.37 24.06 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.871 -1.159 . . . . 29.7 107.871 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 80' ' ' GLU . 35.1 m80 -81.55 -22.33 37.91 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.509 0.929 . . . . 29.9 113.509 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -79.91 -29.83 39.93 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.247 -0.581 . . . . 31.42 111.229 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.3 p -99.56 -26.96 13.92 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.91 -0.404 . . . . 33.14 109.91 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 67.02 44.09 2.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 122.543 1.163 . . . . 35.29 110.021 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.46 146.47 46.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 112.644 -2.071 . . . . 32.59 109.474 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 p -83.36 112.37 19.85 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.475 -0.565 . . . . 32.77 109.475 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 m -105.16 152.56 22.66 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.973 0.416 . . . . 30.32 110.857 -175.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.44 -0.942 0 CA-C-O 121.74 0.781 . . . . 31.76 111.182 175.278 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.8 0 N-CA-C 112.62 -0.192 . . . . 4.75 112.62 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p -80.89 -19.71 43.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.129 0.49 . . . . 2.45 110.858 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.447 ' HD2' HG13 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -83.44 134.46 34.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 2.5 110.382 178.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.408 ' HG3' ' CE2' ' A' ' 6' ' ' TYR . 20.3 ptp -119.33 140.58 50.08 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 110.098 -0.334 . . . . 2.06 110.098 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -76.61 144.01 39.83 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.089 0.471 . . . . 1.9 111.984 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.408 ' CE2' ' HG3' ' A' ' 4' ' ' MET . 38.0 m-85 -135.02 142.3 46.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.254 -0.885 . . . . 0.83 109.076 175.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HB2' HG23 ' A' ' 54' ' ' THR . 59.7 mttt -106.2 164.4 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.394 0.616 . . . . 2.57 111.465 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' A' ' 33' ' ' PHE . 25.3 tp -146.07 140.02 26.45 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.763 -1.108 . . . . 0.33 109.868 174.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.1 mt -127.61 120.9 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.465 -0.939 . . . . 0.62 108.465 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' A' ' 36' ' ' TYR . 1.1 mm? -95.92 94.73 7.78 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.518 -0.549 . . . . 0.25 109.518 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.25 87.8 7.53 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.509 -0.922 . . . . 1.96 108.509 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -121.85 -174.26 14.64 Favored Glycine 0 C--N 1.314 -0.645 0 C-N-CA 120.37 -0.919 . . . . 0.91 111.746 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -95.64 -55.9 2.87 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 120.795 -0.362 . . . . 3.26 111.768 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 t -99.36 6.92 45.96 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.369 -0.832 . . . . 1.93 110.009 178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.55 101.66 4.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.169 -0.923 . . . . 1.8 109.078 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' HE3' ' HB2' ' A' ' 16' ' ' LYS . 22.8 mtmt -135.32 130.6 35.29 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.355 -0.384 . . . . 2.49 110.0 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.58 178.36 47.12 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.229 -0.748 . . . . 0.39 111.229 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -136.54 158.52 44.23 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.236 -0.653 . . . . 1.69 109.236 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.3 t -156.82 173.4 17.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.563 0.22 . . . . 0.58 110.477 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.8 p -141.41 148.01 38.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.338 -0.392 . . . . 0.38 110.62 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.406 ' HB ' ' CZ ' ' A' ' 33' ' ' PHE . 3.6 t -141.82 157.93 44.41 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.979 -0.378 . . . . 0.38 109.979 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.61 130.24 56.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.992 -0.549 . . . . 2.26 110.293 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.26 166.97 31.49 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 109.973 -0.38 . . . . 0.38 109.973 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.447 HG13 ' HD2' ' A' ' 3' ' ' HIS . 17.6 m -103.61 -2.47 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.001 0.371 . . . . 1.09 112.001 176.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -132.13 156.46 46.34 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 109.49 -0.559 . . . . 2.13 109.49 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.06 -40.6 23.92 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.838 -0.431 . . . . 0.59 109.838 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.13 -38.34 90.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.872 -0.604 . . . . 0.48 110.991 178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.0 m -67.78 -32.07 72.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.46 110.635 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.74 -34.25 73.57 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.776 0.798 . . . . 0.28 109.148 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.26 -62.75 1.36 Allowed 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 114.386 -1.279 . . . . 1.29 109.439 176.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -50.59 -42.94 56.43 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.859 -1.064 . . . . 2.42 113.452 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.36 -44.49 90.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.035 0.445 . . . . 0.3 111.181 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.442 ' CG ' HD22 ' A' ' 8' ' ' LEU . 1.5 m-85 -73.18 -21.77 60.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.366 -0.379 . . . . 1.11 111.86 -179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mtpt -68.37 -40.99 81.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.266 -0.642 . . . . 1.09 109.266 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -68.69 -30.75 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.673 -0.694 . . . . 2.2 109.167 176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HE2' HD21 ' A' ' 10' ' ' LEU . 48.7 t80 -69.32 -50.41 46.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.448 -0.797 . . . . 1.24 110.197 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.69 -34.21 75.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.737 -0.665 . . . . 0.22 110.33 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -52.09 -51.81 55.34 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.259 -0.882 . . . . 1.39 111.743 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.15 -5.05 28.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.136 -0.484 . . . . 1.78 111.876 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -108.73 3.3 22.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.102 0.477 . . . . 1.78 110.369 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.39 23.96 76.25 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.655 -0.702 . . . . 0.37 112.948 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.32 118.34 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 CA-C-O 121.364 0.602 . . . . 0.46 111.701 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -147.49 142.4 26.9 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.294 -1.373 . . . . 1.86 107.294 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -172.03 -170.99 36.58 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.171 -1.014 . . . . 0.43 111.785 -175.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.85 104.15 0.33 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.4 -0.593 . . . . 2.79 109.4 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -75.49 100.66 4.59 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-N 115.805 -0.634 . . . . 0.41 111.262 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.426 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 8.6 p -100.04 155.66 17.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.316 -0.856 . . . . 0.63 110.437 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -149.31 144.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.827 -0.349 . . . . 1.18 110.918 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -123.88 131.24 53.55 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 107.984 -1.117 . . . . 2.07 107.984 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -81.25 -15.19 56.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 122.31 -0.244 . . . . 2.28 111.427 -173.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.22 60.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.839 -0.344 . . . . 0.91 111.906 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.1 p -115.1 -3.68 12.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.832 1.049 . . . . 1.19 113.832 -175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.54 37.8 19.34 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 121.489 0.661 . . . . 2.08 110.229 -178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 7' ' ' LYS . 10.9 m -102.17 111.68 24.05 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.407 -0.815 . . . . 0.51 111.6 -176.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.428 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 23.7 m-85 -85.21 125.04 32.54 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 108.311 -0.996 . . . . 1.19 108.311 174.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.426 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 26.5 m -117.45 119.54 35.39 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.874 0.369 . . . . 0.96 110.938 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -113.45 106.16 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.744 0.783 . . . . 0.3 109.252 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.432 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 1.2 m -99.55 125.74 45.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.428 -0.805 . . . . 0.52 110.345 -176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -78.15 90.29 4.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.944 -0.571 . . . . 2.56 109.971 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 139.43 173.07 12.94 Favored Glycine 0 C--N 1.332 0.315 0 N-CA-C 111.226 -0.75 . . . . 2.32 111.226 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -124.26 -29.76 3.52 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.724 0.297 . . . . 4.41 110.216 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -163.26 -177.16 35.97 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.719 -0.753 . . . . 4.49 111.972 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -121.97 -23.53 2.46 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.133 -0.556 . . . . 6.24 111.844 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 67.94 -176.15 0.2 Allowed 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.078 0.551 . . . . 6.29 111.654 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -61.99 137.66 46.04 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.722 -0.672 . . . . 8.41 112.56 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -86.43 -17.76 59.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.787 -0.721 . . . . 10.44 112.801 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -146.83 140.33 25.69 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.925 0.393 . . . . 12.25 110.044 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.09 46.1 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.078 -0.809 . . . . 11.72 111.078 -178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.6 mmt -81.49 71.48 8.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.527 0.203 . . . . 14.29 111.454 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.2 mt 51.6 83.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 115.333 -0.849 . . . . 14.51 111.779 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -128.27 18.64 6.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.59 0.71 . . . . 16.8 110.139 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 73' ' ' PRO . 28.9 mt-10 -110.91 158.67 35.09 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.436 -0.802 . . . . 17.64 110.762 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 72' ' ' GLU . 60.7 Cg_endo -74.67 -176.42 2.78 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.95 2.434 . . . . 20.1 113.095 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 70.01 177.91 0.26 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.608 -1.178 . . . . 20.94 111.39 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -95.88 134.5 23.86 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.285 -0.416 . . . . 22.94 110.843 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.767 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 37.6 Cg_endo -77.0 157.14 34.41 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.447 2.098 . . . . 23.54 111.258 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -45.97 130.93 13.56 Favored 'Trans proline' 0 N--CA 1.475 0.388 0 C-N-CA 123.03 2.487 . . . . 25.03 113.172 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.67 4.05 90.46 Favored Glycine 0 CA--C 1.533 1.19 0 N-CA-C 115.146 0.818 . . . . 26.59 115.146 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.767 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 59.5 m95 -107.3 142.72 36.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.78 1.29 . . . . 26.61 111.265 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.611 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 50.3 mt-10 -127.43 132.42 50.08 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.599 -0.519 . . . . 26.95 109.599 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 60.6 ttp -112.33 106.72 15.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.187 -1.042 . . . . 25.77 108.187 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -133.97 156.99 47.19 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.198 -0.667 . . . . 28.23 109.198 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -112.87 152.5 29.19 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.344 -0.243 . . . . 29.77 110.344 -176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -79.61 174.16 11.86 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.514 -0.921 . . . . 31.75 108.514 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 p -73.66 9.56 1.39 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.578 0.585 . . . . 34.32 112.578 -176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -120.81 0.8 10.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.119 0.485 . . . . 35.43 109.714 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 90.84 12.81 60.1 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.599 -0.81 . . . . 31.3 113.438 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.5 t -81.69 136.85 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.621 -0.511 . . . . 31.86 109.621 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -91.01 123.63 34.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.149 -0.478 . . . . 28.74 111.535 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -135.58 155.61 50.19 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.885 -0.413 . . . . 30.27 109.885 176.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -116.27 157.64 24.62 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.949 0.404 . . . . 28.69 110.339 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.611 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 43.9 t -125.06 112.7 32.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.256 -0.429 . . . . 29.13 110.91 -179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.03 89.33 2.99 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.051 -1.092 . . . . 29.7 108.051 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.7 -11.47 60.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.026 0.441 . . . . 29.9 110.746 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -72.49 -37.28 68.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.693 -0.685 . . . . 31.42 110.286 179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 p -112.57 -6.84 13.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.383 0.611 . . . . 33.14 110.536 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 60.4 73.46 0.48 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 114.817 -1.083 . . . . 35.29 111.139 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 8.8 t -155.54 165.83 35.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.82 -1.536 . . . . 32.59 109.264 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 p -103.51 142.47 34.22 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.949 -0.389 . . . . 32.77 109.949 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.2 t -146.85 139.74 25.22 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 110.175 -0.305 . . . . 30.32 110.175 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -95.51 99.29 11.2 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.983 -0.377 . . . . 31.76 109.983 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -118.48 93.79 4.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.867 0.365 . . . . 28.42 111.011 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -120.74 143.41 36.44 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.39 -0.596 . . . . 27.82 109.39 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -64.31 -13.51 38.58 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.507 2.138 . . . . 26.03 112.766 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -101.99 109.09 59.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 N-CA-C 109.549 -0.537 . . . . 27.8 109.549 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.74 131.12 13.14 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 121.437 1.424 . . . . 29.2 111.131 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.49 -6.96 9.48 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.691 -0.766 . . . . 30.61 113.256 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.1 t80 68.04 31.84 5.3 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.171 -0.677 . . . . 30.1 109.171 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--O 1.246 0.873 0 CA-C-N 114.036 -1.438 . . . . 32.01 112.383 178.739 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 112.095 -0.402 . . . . 4.75 112.095 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 p -146.91 101.32 3.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.912 0.356 . . . . 2.45 110.932 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -99.09 166.09 11.42 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.801 -0.814 . . . . 2.5 108.801 176.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.648 ' HG3' ' HE2' ' A' ' 6' ' ' TYR . 18.0 ptp -120.75 132.1 54.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.682 -0.858 . . . . 2.06 108.682 175.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -92.69 132.85 36.56 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.169 0.509 . . . . 1.9 111.549 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.648 ' HE2' ' HG3' ' A' ' 4' ' ' MET . 70.6 m-85 -123.54 151.04 43.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 0.83 109.289 178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.575 ' HB3' HG22 ' A' ' 20' ' ' THR . 14.6 ptmt -123.29 148.49 45.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.128 0.489 . . . . 2.57 110.22 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.7 tp -130.18 131.64 45.7 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.233 -0.894 . . . . 0.33 110.051 -178.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.2 mt -109.61 125.87 66.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.143 -0.688 . . . . 0.62 109.143 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -95.64 100.58 12.29 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 109.355 -0.609 . . . . 0.25 109.355 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.437 ' CB ' HG23 ' A' ' 58' ' ' THR . 88.9 m-20 -94.54 86.36 4.79 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.418 -0.956 . . . . 1.96 108.418 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.581 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.73 136.65 5.7 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.038 -0.825 . . . . 0.91 111.038 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -58.63 -19.67 41.03 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.247 0.462 . . . . 3.26 112.247 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -94.86 -15.26 23.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.77 0.319 . . . . 1.93 111.573 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.24 101.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 1.8 110.297 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 16.2 mttm -113.83 118.04 33.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.175 -0.466 . . . . 2.49 110.469 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.76 -166.49 37.81 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.886 -0.885 . . . . 0.39 110.886 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -162.66 150.37 13.82 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.93 0.395 . . . . 1.69 110.285 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -147.93 178.45 8.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.755 -0.657 . . . . 0.58 110.62 -176.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.575 HG22 ' HB3' ' A' ' 7' ' ' LYS . 40.0 p -133.49 156.62 47.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.585 -0.279 . . . . 0.38 111.539 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.5 t -149.8 156.28 41.54 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.028 -0.533 . . . . 0.38 109.581 177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -103.11 135.86 43.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.337 -0.616 . . . . 2.26 109.337 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 4' ' ' MET . . . -146.34 162.57 37.88 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.323 -0.621 . . . . 0.38 109.323 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.64 8.44 9.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 122.106 -0.371 . . . . 1.09 111.033 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -152.96 159.62 42.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.13 -0.486 . . . . 2.13 110.237 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.03 -42.73 25.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.232 -0.44 . . . . 0.59 111.904 -177.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.06 -32.74 63.43 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-O 121.613 0.721 . . . . 0.48 110.292 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 32' ' ' VAL . 17.0 m -64.31 -27.13 68.82 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.985 -1.007 . . . . 0.46 110.513 177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.7 67.04 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.117 -0.698 . . . . 0.28 109.117 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.527 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 10.1 tt0 -62.41 -59.0 5.61 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 114.974 -1.012 . . . . 1.29 109.555 176.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -49.74 -42.8 47.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.862 -1.063 . . . . 2.42 113.231 -177.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 28' ' ' THR . 84.3 t -70.37 -45.79 73.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 120.838 0.351 . . . . 0.3 111.184 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.444 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 2.4 m-85 -70.86 -21.34 62.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.741 0.275 . . . . 1.11 111.741 -179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 29.1 mtpt -69.76 -43.61 71.87 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.97 -0.381 . . . . 1.09 109.97 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -68.78 -27.51 65.95 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.862 -0.792 . . . . 2.2 108.862 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.444 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 35.2 t80 -69.85 -52.57 23.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.769 -1.105 . . . . 1.24 110.254 177.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -68.51 -32.74 72.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.063 -0.517 . . . . 0.22 110.678 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -67.66 -26.89 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.829 -0.623 . . . . 1.39 109.681 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -69.88 -30.93 68.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.782 -0.645 . . . . 1.78 110.738 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -101.28 2.79 40.17 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.006 0.432 . . . . 1.78 110.433 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.79 26.43 60.63 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.866 -0.607 . . . . 0.37 114.495 175.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.4 t -102.5 112.4 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 CA-C-N 117.852 0.826 . . . . 0.46 110.969 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -132.44 109.63 9.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.255 -0.884 . . . . 1.86 108.746 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -151.64 -168.62 16.27 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.122 -0.561 . . . . 0.43 111.923 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.54 139.68 37.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 110.303 -0.258 . . . . 2.79 110.303 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.55 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.3 m95 -113.72 99.14 7.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.995 0.426 . . . . 0.41 110.771 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.0 p -104.39 162.84 12.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.68 -0.691 . . . . 0.63 109.873 178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -153.7 151.24 29.42 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.757 -0.377 . . . . 1.18 111.524 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.99 132.98 38.99 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 107.677 -1.231 . . . . 2.07 107.677 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -88.95 -23.1 22.76 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 120.058 -0.657 . . . . 2.28 111.709 -170.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.81 -25.78 63.01 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.994 -0.282 . . . . 0.91 111.026 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.4 p -116.87 -0.04 12.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.825 0.676 . . . . 1.19 112.825 -178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt 48.94 36.87 9.06 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-O 121.109 0.48 . . . . 2.08 111.692 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 m -104.4 115.98 31.32 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.378 0.51 . . . . 0.51 112.378 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 28.1 m-85 -84.92 133.82 34.28 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.742 -1.207 . . . . 1.19 107.742 171.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.26 118.48 29.66 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.62 -0.432 . . . . 0.96 111.369 -177.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -111.33 109.28 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.347 -0.982 . . . . 0.3 108.347 175.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.437 HG23 ' CB ' ' A' ' 11' ' ' ASN . 1.6 m -111.64 129.57 56.04 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.429 -0.805 . . . . 0.52 110.929 -175.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.35 95.7 7.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.516 -0.766 . . . . 2.56 109.214 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.69 106.42 2.82 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 119.714 -1.231 . . . . 2.32 111.675 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 p -128.65 9.83 6.01 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.867 0.365 . . . . 4.41 110.36 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.25 -10.46 50.84 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.741 -0.742 . . . . 4.49 112.313 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.83 -11.77 83.35 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.273 -0.489 . . . . 6.24 113.078 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.68 158.88 42.95 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.886 -0.413 . . . . 6.29 109.886 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 151.49 -78.08 0.22 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.532 -0.842 . . . . 8.41 112.353 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.43 ' O ' ' HB3' ' A' ' 67' ' ' GLN . . . -68.32 -27.31 73.81 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.72 -0.752 . . . . 10.44 112.937 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' ' 66' ' ' GLY . 49.5 tt0 73.55 -73.15 0.1 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.289 0.636 . . . . 12.25 111.414 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.4 -166.62 34.44 Favored Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.348 -0.701 . . . . 11.72 111.348 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 48.3 mtm 60.51 -160.65 0.29 Allowed 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.876 -0.416 . . . . 14.29 109.876 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 1.1 tp 89.09 4.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 O-C-N 123.753 0.658 . . . . 14.51 110.471 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -99.33 12.48 36.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.19 -0.914 . . . . 16.8 110.098 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -98.06 152.42 38.03 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.316 -0.856 . . . . 17.64 109.468 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -80.08 156.41 23.17 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.211 1.941 . . . . 20.1 110.869 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -144.3 176.7 9.15 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.256 -0.429 . . . . 20.94 110.302 -179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.54 147.92 82.38 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 109.716 -0.476 . . . . 22.94 109.716 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.9 Cg_exo -71.22 160.55 48.62 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 121.833 1.689 . . . . 23.54 110.431 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -60.8 129.69 30.08 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 121.85 1.7 . . . . 25.03 110.987 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.63 -15.54 61.28 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 120.468 -0.872 . . . . 26.59 113.94 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.551 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.4 m95 -96.44 126.72 41.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 117.859 0.83 . . . . 26.61 111.306 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 39.8 mt-10 -111.59 149.75 31.03 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 109.495 -0.557 . . . . 26.95 109.495 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -126.27 117.71 23.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.316 -0.624 . . . . 25.77 109.316 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -143.38 157.49 44.42 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 110.067 -0.345 . . . . 28.23 110.067 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -111.53 159.69 17.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.872 0.367 . . . . 29.77 111.519 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.5 p -89.84 -168.38 2.12 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 108.775 -0.824 . . . . 31.75 108.775 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.4 p -90.46 10.87 23.52 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.878 -0.514 . . . . 34.32 112.056 -178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -120.23 0.43 10.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.474 0.654 . . . . 35.43 109.589 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.95 2.17 69.44 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.483 -0.865 . . . . 31.3 111.913 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.7 t -72.46 131.05 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 31.86 109.75 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -97.57 121.4 39.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.012 -0.54 . . . . 28.74 110.601 -176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -120.84 153.3 37.31 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.713 -0.847 . . . . 30.27 108.713 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -117.23 146.14 43.46 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 120.339 -0.544 . . . . 28.69 109.599 -176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.616 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.9 t -110.97 104.04 16.44 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 CA-C-N 116.254 -0.43 . . . . 29.13 110.977 -176.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.64 85.58 1.18 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 107.454 -1.313 . . . . 29.7 107.454 173.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -72.52 -2.58 20.24 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.853 0.359 . . . . 29.9 111.349 -174.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -75.01 -27.12 59.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.619 -0.512 . . . . 31.42 109.619 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 p -119.81 -6.64 10.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.102 0.477 . . . . 33.14 109.897 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 65.3 31.67 10.4 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.116 -0.947 . . . . 35.29 110.908 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.6 p -106.54 153.2 22.67 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.634 -1.166 . . . . 32.59 110.572 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.1 p -94.88 121.04 36.07 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.487 -0.931 . . . . 32.77 108.487 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.413 HG21 ' NZ ' ' A' ' 102' ' ' LYS . 5.0 t -124.42 157.97 33.87 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.096 0.474 . . . . 30.32 110.796 -175.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -115.16 97.74 6.38 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.968 -0.753 . . . . 31.76 108.968 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' HE3' ' HH2' ' A' ' 79' ' ' TRP . 27.3 mtmm -135.76 105.7 6.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.869 -0.605 . . . . 28.42 110.153 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.445 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 5.9 p-10 -82.84 127.35 70.16 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 116.085 -0.507 . . . . 27.82 110.551 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.46 ' HD2' ' HE1' ' A' ' 108' ' ' PHE . 7.7 Cg_exo -71.36 -28.23 18.43 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.339 2.026 . . . . 26.03 110.486 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -109.14 121.75 41.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 108.578 -0.897 . . . . 27.8 108.578 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.65 118.58 5.55 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 121.756 1.637 . . . . 29.2 113.032 -172.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.11 -34.95 2.98 Favored Glycine 0 CA--C 1.524 0.632 0 CA-C-N 115.952 -0.567 . . . . 30.61 113.336 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.46 ' HE1' ' HD2' ' A' ' 104' ' ' PRO . 0.8 OUTLIER 57.41 20.04 5.65 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 117.053 0.426 . . . . 30.1 111.881 -178.028 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--O 1.248 0.993 0 O-C-N 123.681 0.613 . . . . 32.01 110.985 179.393 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.718 -0.553 . . . . 4.75 111.718 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -75.7 153.04 37.37 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.746 0.308 . . . . 2.45 111.094 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -67.91 100.12 0.92 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.021 -0.536 . . . . 2.5 111.197 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.1 ptm -103.63 136.58 43.08 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.084 -0.71 . . . . 2.06 109.084 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -83.32 140.01 32.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.014 0.435 . . . . 1.9 111.895 -176.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -122.41 160.6 25.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.546 -0.752 . . . . 0.83 110.366 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.887 ' HD2' HG23 ' A' ' 54' ' ' THR . 5.4 tmtm? -123.56 141.09 52.35 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.66 -0.7 . . . . 2.57 110.424 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.622 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 17.2 tp -134.2 144.47 48.47 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.944 0.402 . . . . 0.33 111.352 178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.606 HG12 ' HG2' ' A' ' 18' ' ' GLU . 88.6 mt -129.38 127.47 65.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.296 -0.866 . . . . 0.62 109.118 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -96.81 102.98 14.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.622 -0.511 . . . . 0.25 109.622 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 8.8 m120 -96.22 86.42 4.23 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.021 -0.733 . . . . 1.96 109.021 177.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.537 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -153.92 135.53 4.82 Favored Glycine 0 N--CA 1.441 -0.974 0 N-CA-C 111.169 -0.772 . . . . 0.91 111.169 178.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -55.05 -21.44 12.41 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.393 0.516 . . . . 3.26 112.393 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.1 p -78.68 -52.75 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.77 0.319 . . . . 1.93 110.592 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 15' ' ' LEU . 1.6 mm? -134.48 104.65 6.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 1.8 111.269 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.9 OUTLIER -105.86 121.42 44.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.484 -0.561 . . . . 2.49 109.484 175.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.06 -173.94 46.05 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.336 -0.705 . . . . 0.39 111.336 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.606 ' HG2' HG12 ' A' ' 9' ' ' ILE . 36.1 mt-10 -139.02 164.89 28.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.827 0.346 . . . . 1.69 111.227 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -163.96 172.84 13.37 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.952 -0.567 . . . . 0.58 110.539 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 46.1 p -140.71 155.57 46.43 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 122.667 0.387 . . . . 0.38 110.001 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.7 t -152.71 157.5 40.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 110.266 -0.272 . . . . 0.38 110.266 177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -95.09 141.34 28.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 2.26 109.73 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -142.58 147.29 35.64 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.884 -0.326 . . . . 0.38 110.373 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 m -101.2 7.3 9.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-O 120.786 0.327 . . . . 1.09 110.944 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -164.25 159.12 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.449 -0.945 . . . . 2.13 108.449 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.88 -36.9 67.44 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.652 0.263 . . . . 0.59 111.469 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.02 73.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.031 0.443 . . . . 0.48 111.021 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 32' ' ' VAL . 2.5 m -69.34 -29.26 67.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.725 -0.67 . . . . 0.46 111.157 -178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.61 -42.52 74.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.28 110.685 -177.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.2 tt0 -65.93 -55.2 18.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.58 -0.736 . . . . 1.29 109.792 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -51.45 -43.16 61.99 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.042 0.756 . . . . 2.42 113.042 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 28' ' ' THR . 83.9 t -69.08 -51.55 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.717 0.294 . . . . 0.3 111.254 -178.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.547 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.4 m-30 -66.41 -22.31 66.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.402 -0.363 . . . . 1.11 111.979 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.665 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 25.0 mtpp -72.61 -40.12 66.75 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 110.125 -0.324 . . . . 1.09 110.125 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -70.57 -32.03 69.28 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.861 -0.792 . . . . 2.2 108.861 175.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.547 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 24.2 t80 -65.98 -51.38 58.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.912 -1.04 . . . . 1.24 110.162 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . -67.27 -30.04 69.81 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.355 -0.839 . . . . 0.22 110.088 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.48 -39.25 92.84 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.467 -0.788 . . . . 1.39 110.685 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.88 -26.41 67.39 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.375 -0.375 . . . . 1.78 111.562 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -102.79 6.39 39.28 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.929 0.395 . . . . 1.78 110.328 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.24 20.34 67.2 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.614 -0.721 . . . . 0.37 113.065 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.523 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 91.4 t -102.64 105.86 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 CA-C-O 121.425 0.631 . . . . 0.46 111.146 -179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -143.55 140.58 30.31 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.29 -1.004 . . . . 1.86 108.29 176.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -169.91 -169.58 33.29 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.898 -0.881 . . . . 0.43 110.898 -173.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.74 111.4 0.91 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.043 0.449 . . . . 2.79 110.764 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.665 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.5 m95 -82.06 105.83 13.48 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.706 -0.679 . . . . 0.41 111.21 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.95 157.04 17.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.591 -0.731 . . . . 0.63 109.628 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.436 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 79.0 t80 -146.72 147.09 30.6 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.334 -0.229 . . . . 1.18 111.223 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -118.6 142.27 47.79 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 108.864 -0.791 . . . . 2.07 108.864 176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -78.61 -36.47 44.14 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 111.67 0.248 . . . . 2.28 111.67 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.48 -26.6 60.13 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.582 0.586 . . . . 0.91 112.582 -175.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.5 p -109.68 -15.48 14.14 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 113.865 1.061 . . . . 1.19 113.865 -176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HA ' ' CE2' ' A' ' 48' ' ' TYR . 13.5 mptt 60.04 24.32 13.52 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-O 121.85 0.833 . . . . 2.08 109.816 -177.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.887 HG23 ' HD2' ' A' ' 7' ' ' LYS . 39.4 m -89.21 114.9 26.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.733 -1.121 . . . . 0.51 112.047 -178.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.542 ' O ' HD12 ' A' ' 8' ' ' LEU . 84.7 m-85 -83.7 120.89 26.56 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.144 -1.058 . . . . 1.19 108.144 171.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 21.1 m -111.31 118.16 35.11 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.839 0.352 . . . . 0.96 110.206 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.7 p -110.13 113.05 43.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.773 -0.825 . . . . 0.3 108.773 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.497 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 5.7 m -110.04 131.14 55.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.442 -0.799 . . . . 0.52 111.398 -176.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -73.56 153.22 40.34 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.524 -0.547 . . . . 2.56 109.524 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -150.33 -164.54 11.95 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.487 -0.863 . . . . 2.32 111.616 -178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.3 m 62.84 -163.56 0.27 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.474 0.31 . . . . 4.41 110.634 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.31 -146.39 17.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.711 -0.757 . . . . 4.49 111.751 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.8 -11.16 62.5 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.97 -0.633 . . . . 6.24 112.6 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 73.87 -56.77 0.64 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.041 0.936 . . . . 6.29 111.914 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.34 88.97 1.15 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.86 -0.686 . . . . 8.41 111.886 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -90.14 3.02 82.2 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.609 -0.805 . . . . 10.44 112.248 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -142.26 125.87 16.87 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.608 0.242 . . . . 12.25 110.587 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.97 -68.04 1.18 Allowed Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 110.926 -0.87 . . . . 11.72 110.926 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 25.7 mmt 60.42 12.04 3.27 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.915 0.709 . . . . 14.29 112.915 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.2 mm -131.17 82.01 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.002 -0.74 . . . . 14.51 109.002 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -112.5 20.85 16.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.043 0.449 . . . . 16.8 110.758 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.16 148.0 98.62 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.607 -0.724 . . . . 17.64 109.935 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -75.48 177.76 8.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.758 2.306 . . . . 20.1 114.738 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 78.18 101.26 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 114.093 -1.412 . . . . 20.94 114.011 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.13 147.17 33.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.916 -1.142 . . . . 22.94 107.916 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.769 ' HG2' ' CD1' ' A' ' 79' ' ' TRP . 61.1 Cg_endo -74.51 143.97 31.55 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 121.289 1.326 . . . . 23.54 110.31 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -41.43 129.79 3.52 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 25.03 113.761 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.13 -15.97 59.8 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 120.647 -0.787 . . . . 26.59 114.504 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.769 ' CD1' ' HG2' ' A' ' 76' ' ' PRO . 72.9 m95 -94.04 147.27 23.29 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.084 0.942 . . . . 26.61 111.379 -177.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.635 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 15.5 tp10 -130.63 145.43 51.9 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.085 -0.709 . . . . 26.95 109.085 177.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -125.42 128.73 48.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.704 -0.225 . . . . 25.77 110.427 -177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -149.46 153.81 37.87 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.432 -0.581 . . . . 28.23 109.432 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.84 158.5 17.27 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 110.075 -0.342 . . . . 29.77 110.075 -179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 6.5 p -96.93 174.3 6.85 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.645 -0.872 . . . . 31.75 108.645 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.2 p -77.4 8.52 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.403 0.519 . . . . 34.32 112.403 -178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -119.43 5.27 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.928 0.394 . . . . 35.43 110.579 -177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.48 83.3 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.659 -0.782 . . . . 31.3 112.262 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.45 146.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.691 -0.485 . . . . 31.86 109.691 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -111.39 128.18 55.9 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.47 -0.332 . . . . 28.74 110.642 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -127.76 155.94 43.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.457 -0.571 . . . . 30.27 109.457 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -117.6 153.61 32.96 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.065 0.459 . . . . 28.69 110.647 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.635 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 43.2 t -127.11 112.96 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.798 -0.637 . . . . 29.13 110.907 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.2 94.44 5.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.178 -0.675 . . . . 29.7 109.178 177.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -74.42 -4.54 37.16 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.216 0.462 . . . . 29.9 111.275 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -77.34 -30.77 54.11 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.076 -0.511 . . . . 31.42 109.867 176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 p -115.4 -10.33 12.01 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.122 -0.49 . . . . 33.14 110.535 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 66.01 42.27 3.36 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.045 0.926 . . . . 35.29 110.006 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 t -122.23 168.54 11.89 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 113.272 -1.786 . . . . 32.59 109.984 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -113.56 138.01 50.76 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.642 . . . . 32.77 109.265 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.9 t -143.77 149.52 37.21 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.302 0.572 . . . . 30.32 111.272 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -103.77 99.89 9.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.763 -0.653 . . . . 31.76 109.435 176.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -115.12 145.71 42.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.029 -0.532 . . . . 28.42 109.984 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 16.6 p-10 -78.84 131.75 66.34 Favored Pre-proline 0 N--CA 1.433 -1.305 0 CA-C-N 116.048 -0.523 . . . . 27.82 110.417 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 6.2 Cg_exo -77.44 -37.83 0.88 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.46 2.107 . . . . 26.03 110.395 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -111.97 109.56 54.81 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 115.56 -0.745 . . . . 27.8 109.22 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.418 ' HA ' ' OD1' ' A' ' 103' ' ' ASP . 81.3 Cg_exo -50.2 130.48 28.51 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 121.971 1.781 . . . . 29.2 112.165 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 77.59 12.94 84.02 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 120.374 -0.917 . . . . 30.61 114.612 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -108.06 152.18 24.85 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.361 1.081 . . . . 30.1 109.867 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.19 -0.91 . . . . 32.01 109.415 -179.826 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 112.114 -0.395 . . . . 4.75 112.114 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.624 ' O ' HG12 ' A' ' 24' ' ' VAL . 27.1 m -75.07 81.94 2.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.089 0.471 . . . . 2.45 110.806 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.7 146.78 46.09 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.726 -0.67 . . . . 2.5 109.943 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.432 ' HB2' ' CE2' ' A' ' 6' ' ' TYR . 25.1 mmt -122.33 135.47 54.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.274 -1.01 . . . . 2.06 108.274 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -85.22 99.19 10.94 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.648 -0.421 . . . . 1.9 110.288 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.432 ' CE2' ' HB2' ' A' ' 4' ' ' MET . 96.1 m-85 -91.75 135.74 33.67 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.05 -0.722 . . . . 0.83 109.05 178.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HG3' HG23 ' A' ' 54' ' ' THR . 4.5 ptpp? -119.73 148.7 43.08 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.082 -0.508 . . . . 2.57 110.322 -178.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.0 tp -128.19 140.63 51.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.744 . . . . 0.33 110.055 -176.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.509 HG12 ' HG2' ' A' ' 18' ' ' GLU . 89.4 mt -120.77 121.92 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 N-CA-C 108.634 -0.876 . . . . 0.62 108.634 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -90.07 94.76 9.91 Favored 'General case' 0 CA--C 1.505 -0.775 0 N-CA-C 109.443 -0.577 . . . . 0.25 109.443 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.558 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -86.67 84.26 7.43 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.164 -1.05 . . . . 1.96 108.164 179.172 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -135.12 130.25 5.38 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.299 -0.953 . . . . 0.91 111.537 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -50.53 -30.92 14.16 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 123.655 0.782 . . . . 3.26 112.922 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -81.34 -41.64 21.72 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.716 -0.393 . . . . 1.93 111.181 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -145.1 126.1 14.53 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-O 121.244 0.545 . . . . 1.8 109.638 177.84 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -121.15 135.53 55.14 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.613 -0.721 . . . . 2.49 109.067 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.24 -171.25 43.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.625 -0.798 . . . . 0.39 112.372 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.509 ' HG2' HG12 ' A' ' 9' ' ' ILE . 22.8 mt-10 -130.12 171.33 12.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.055 0.455 . . . . 1.69 111.272 -178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.518 HG21 ' CE1' ' A' ' 36' ' ' TYR . 15.0 t -168.28 155.29 7.75 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.052 -0.976 . . . . 0.58 108.813 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.1 p -132.8 159.23 40.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.891 0.377 . . . . 0.38 111.421 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.9 t -159.91 155.86 26.31 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 109.096 -0.705 . . . . 0.38 109.096 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.72 130.04 48.02 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.863 0.363 . . . . 2.26 110.224 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.94 157.26 44.46 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.83 -0.433 . . . . 0.38 109.83 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 2' ' ' SER . 33.7 m -94.68 -1.36 10.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.642 0.258 . . . . 1.09 111.602 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -154.46 157.69 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.505 -0.316 . . . . 2.13 110.439 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -77.61 -42.82 33.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.828 -0.624 . . . . 0.59 111.466 -177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -67.68 -30.26 69.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.406 0.622 . . . . 0.48 110.117 -178.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 m -73.08 -28.43 62.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.954 -1.021 . . . . 0.46 110.702 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.2 -38.17 60.86 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.208 -0.664 . . . . 0.28 109.208 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 9.8 tt0 -50.87 -59.99 3.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 114.703 -1.135 . . . . 1.29 110.231 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 64.6 mmtt -49.74 -43.9 48.2 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.248 -0.887 . . . . 2.42 112.51 -177.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.8 t -72.59 -46.62 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.3 111.125 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.442 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.6 m-85 -69.09 -20.17 64.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.844 0.313 . . . . 1.11 111.844 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.628 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 34.1 mtpt -72.67 -42.63 64.11 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.967 -0.382 . . . . 1.09 109.967 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -67.09 -30.27 70.26 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.761 -0.829 . . . . 2.2 108.761 174.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.518 ' CE1' HG21 ' A' ' 19' ' ' THR . 47.7 t80 -67.88 -52.52 35.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.455 -0.793 . . . . 1.24 110.358 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.41 84.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.066 0.46 . . . . 0.22 109.777 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -56.41 -45.2 80.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.122 -0.944 . . . . 1.39 110.67 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -73.73 -19.76 60.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.451 -0.795 . . . . 1.78 110.775 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -91.32 -11.89 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 1.78 110.918 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.22 11.97 60.55 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.825 -0.625 . . . . 0.37 112.955 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.9 t -99.51 129.44 50.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-O 120.936 0.398 . . . . 0.46 110.905 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -150.18 99.14 2.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.471 -0.786 . . . . 1.86 109.534 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -151.25 -168.4 15.78 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 121.317 -0.468 . . . . 0.43 112.064 -175.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 57' ' ' VAL . 2.9 mm-40 -54.32 150.6 8.47 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.858 0.387 . . . . 2.79 110.955 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.628 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 8.9 m95 -126.22 112.75 16.12 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.284 -0.416 . . . . 0.41 111.409 -178.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.76 153.81 47.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.466 -0.334 . . . . 0.63 110.806 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.45 ' HB2' ' CE1' ' A' ' 55' ' ' TYR . 37.6 t80 -135.09 149.6 50.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.695 0.283 . . . . 1.18 111.344 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -129.66 131.43 46.4 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 107.782 -1.192 . . . . 2.07 107.782 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -87.71 -9.08 55.11 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.633 0.254 . . . . 2.28 111.638 -171.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.23 -33.27 59.21 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.771 -0.372 . . . . 0.91 111.541 -179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.9 p -121.91 5.37 9.9 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 112.981 0.734 . . . . 1.19 112.981 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 53.74 49.6 18.87 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.087 0.47 . . . . 2.08 110.543 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.403 HG23 ' HG3' ' A' ' 7' ' ' LYS . 7.0 m -116.87 124.44 49.5 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.387 -0.37 . . . . 0.51 111.696 -177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.48 ' OH ' ' HB1' ' A' ' 26' ' ' ALA . 21.6 m-85 -98.23 136.71 38.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.799 -0.815 . . . . 1.19 108.799 173.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.39 127.12 53.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.612 -0.267 . . . . 0.96 111.286 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.458 ' HA ' ' O ' ' A' ' 45' ' ' GLU . 14.6 p -121.17 103.45 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 108.662 -0.866 . . . . 0.3 108.662 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.573 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 25.3 m -103.34 129.29 50.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.108 -0.951 . . . . 0.52 111.411 -176.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.08 143.56 57.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.819 -0.628 . . . . 2.56 110.119 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.73 -164.88 25.17 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 120.675 -0.774 . . . . 2.32 112.191 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.2 m -117.83 118.52 32.24 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 122.764 -0.256 . . . . 4.41 110.518 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -144.66 -174.21 16.7 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.955 -0.64 . . . . 4.49 111.998 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.73 -24.17 36.59 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.424 -0.893 . . . . 6.24 112.542 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.28 137.24 57.42 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.715 0.293 . . . . 6.29 110.471 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 126.6 -36.87 2.55 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.822 -0.626 . . . . 8.41 111.611 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.04 -40.77 34.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.4 -0.905 . . . . 10.44 111.263 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 65.12 167.75 0.18 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.697 0.799 . . . . 12.25 112.181 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.36 -40.11 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.578 -0.737 . . . . 11.72 111.854 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.4 mmt 63.08 -167.54 0.21 Allowed 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.237 0.615 . . . . 14.29 111.693 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.4 mt 71.96 63.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 122.452 1.12 . . . . 14.51 108.996 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.67 20.46 15.26 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 113.629 -1.623 . . . . 16.8 108.8 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.696 ' HB3' ' HD2' ' A' ' 73' ' ' PRO . 16.6 mm-40 -80.78 169.53 19.1 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 114.692 -1.14 . . . . 17.64 109.692 -179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.696 ' HD2' ' HB3' ' A' ' 72' ' ' GLU . 30.8 Cg_endo -66.07 -179.73 1.53 Allowed 'Trans proline' 0 C--O 1.237 0.45 0 C-N-CA 122.221 1.948 . . . . 20.1 112.726 178.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 68.67 148.71 0.06 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.349 -0.841 . . . . 20.94 112.072 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.65 151.53 37.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.745 -0.661 . . . . 22.94 109.541 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 87.8 Cg_exo -53.57 145.93 45.52 Favored 'Trans proline' 0 C--N 1.36 1.177 0 C-N-CA 121.304 1.336 . . . . 23.54 111.799 176.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 76' ' ' PRO . 42.9 Cg_exo -45.56 125.95 8.18 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.783 2.989 . . . . 25.03 113.761 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 82.46 -10.69 54.33 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-N 115.664 -0.698 . . . . 26.59 114.556 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -95.62 134.92 37.95 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 118.257 1.029 . . . . 26.61 110.979 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.466 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 40.6 tt0 -116.53 153.13 32.73 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.511 -0.551 . . . . 26.95 109.511 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -135.54 135.18 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.35 -0.611 . . . . 25.77 109.35 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.925 ' HE2' HG21 ' A' ' 92' ' ' VAL . 18.3 pttt -161.73 158.76 26.32 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 108.906 -0.776 . . . . 28.23 108.906 -177.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -103.13 157.1 17.23 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 120.868 0.366 . . . . 29.77 111.504 -176.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.9 p -83.2 -172.65 4.26 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 109.297 -0.631 . . . . 31.75 109.297 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 p -83.98 12.1 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.915 0.388 . . . . 34.32 111.852 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -121.09 -1.45 9.81 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 109.425 -0.583 . . . . 35.43 109.425 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.91 6.46 69.63 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.733 -0.746 . . . . 31.3 112.295 -177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.9 t -78.36 138.52 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.757 0.313 . . . . 31.86 110.511 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.553 ' HD3' ' OD2' ' A' ' 103' ' ' ASP . 28.1 ttt180 -90.55 133.06 35.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.018 -0.537 . . . . 28.74 110.857 -177.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -139.67 155.62 47.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.83 -0.433 . . . . 30.27 109.83 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -113.44 151.95 30.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.884 -0.413 . . . . 28.69 109.884 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.925 HG21 ' HE2' ' A' ' 82' ' ' LYS . 18.5 t -119.15 128.45 75.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.173 -0.467 . . . . 29.13 111.494 -175.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -93.78 129.84 40.0 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.195 -1.039 . . . . 29.7 108.195 173.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 -83.24 -22.91 32.96 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.415 0.524 . . . . 29.9 112.415 -174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.545 ' ND2' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -82.14 -37.07 26.75 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.888 -0.325 . . . . 31.42 111.529 -174.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.545 HG23 ' ND2' ' A' ' 95' ' ' ASN . 17.0 p -97.86 -17.09 19.49 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 122.224 -0.297 . . . . 33.14 111.437 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 57.5 71.04 0.6 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.049 0.928 . . . . 35.29 109.939 -175.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.3 t -143.7 169.92 16.83 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.37 -1.286 . . . . 32.59 109.704 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.7 p -118.64 123.02 43.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.881 -0.414 . . . . 32.77 109.881 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -130.86 158.13 41.03 Favored 'General case' 0 N--CA 1.454 -0.269 0 O-C-N 121.819 -0.551 . . . . 30.32 110.32 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -105.77 101.93 11.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.425 -0.352 . . . . 31.76 110.722 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -137.64 94.26 2.89 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.726 -0.472 . . . . 28.42 109.726 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.583 ' OD1' ' HB2' ' A' ' 105' ' ' ARG . 8.7 t70 -120.37 131.61 24.38 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 109.008 -0.738 . . . . 27.82 109.008 179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.535 ' O ' ' HD3' ' A' ' 106' ' ' PRO . 8.7 Cg_exo -70.58 -11.51 29.88 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.696 2.264 . . . . 26.03 112.773 -178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.583 ' HB2' ' OD1' ' A' ' 103' ' ' ASP . 1.8 mpt_? -76.0 109.75 9.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 C-N-CA 122.172 0.189 . . . . 27.8 110.778 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 104' ' ' PRO . 34.2 Cg_exo -57.33 118.89 5.84 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 121.56 1.507 . . . . 29.2 111.861 178.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.93 -35.8 2.72 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 118.969 -0.906 . . . . 30.61 113.884 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.4 p90 41.25 27.33 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 123.806 0.842 . . . . 30.1 113.052 -177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 . . . . . 0 C--O 1.247 0.926 0 N-CA-C 108.717 -0.846 . . . . 32.01 108.717 -178.705 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 112.188 -0.365 . . . . 4.75 112.188 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 m -76.42 -22.68 54.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.156 0.503 . . . . 2.45 110.864 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -92.32 157.43 16.64 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.734 -0.469 . . . . 2.5 109.734 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.8 mtp -114.0 137.13 52.12 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.379 -0.601 . . . . 2.06 109.379 178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -72.03 117.94 14.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.143 0.497 . . . . 1.9 111.35 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.538 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 56.1 m-85 -113.73 136.51 52.77 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.364 -0.976 . . . . 0.83 108.364 176.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HB3' HG22 ' A' ' 20' ' ' THR . 7.1 ptmm? -118.06 152.99 34.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.216 0.531 . . . . 2.57 111.874 -178.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.55 HD12 ' O ' ' A' ' 55' ' ' TYR . 26.9 tp -126.96 146.33 50.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.083 -0.962 . . . . 0.33 110.306 -178.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.871 HG12 ' HG2' ' A' ' 18' ' ' GLU . 91.0 mt -127.35 118.67 50.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.063 -0.717 . . . . 0.62 109.063 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -91.88 108.89 20.24 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 109.476 -0.565 . . . . 0.25 109.476 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' A' ' 58' ' ' THR . 14.4 t-20 -104.68 86.61 2.52 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 109.459 -0.571 . . . . 1.96 109.459 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.53 -158.55 9.91 Favored Glycine 0 CA--C 1.509 -0.312 0 N-CA-C 111.215 -0.754 . . . . 0.91 111.215 177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 34.0 mtpt -91.8 -59.3 2.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.414 0.524 . . . . 3.26 112.414 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -97.23 -12.52 22.89 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 121.645 -0.659 . . . . 1.93 111.533 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 HD13 ' HB3' ' A' ' 40' ' ' ASN . 20.0 mt -115.7 98.03 6.46 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-O 121.255 0.55 . . . . 1.8 109.89 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -133.54 115.94 15.33 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.14 -0.936 . . . . 2.49 109.658 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.38 -172.1 44.5 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.483 -1.047 . . . . 0.39 110.483 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.871 ' HG2' HG12 ' A' ' 9' ' ' ILE . 3.3 mt-10 -135.69 170.09 16.52 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.154 0.502 . . . . 1.69 111.061 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -160.93 168.99 23.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 0.58 109.191 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.524 HG22 ' HB3' ' A' ' 7' ' ' LYS . 9.2 p -142.14 153.66 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.027 0.442 . . . . 0.38 112.092 -177.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.7 t -154.82 156.74 36.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.972 -0.751 . . . . 0.38 108.972 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -105.91 123.83 48.6 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.891 0.377 . . . . 2.26 110.458 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.57 157.96 44.93 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 109.808 -0.441 . . . . 0.38 109.808 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.2 m -98.23 7.28 8.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.902 0.382 . . . . 1.09 111.387 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -155.11 157.85 38.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.782 0.325 . . . . 2.13 111.253 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -41.94 23.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.804 -0.634 . . . . 0.59 111.354 -178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.74 -36.65 76.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.647 0.737 . . . . 0.48 109.531 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -67.18 -30.12 69.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.953 -1.021 . . . . 0.46 110.876 177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.82 -37.18 56.19 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.515 -0.55 . . . . 0.28 109.515 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -58.19 -62.14 2.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.077 -0.965 . . . . 1.29 110.142 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.11 -43.78 31.25 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.243 0.831 . . . . 2.42 113.243 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -68.79 -49.32 65.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.025 -0.27 . . . . 0.3 111.068 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -66.08 -21.32 66.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.522 -0.308 . . . . 1.11 111.422 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -66.12 -43.33 87.48 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.68 -0.489 . . . . 1.09 109.68 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -70.6 -30.99 67.81 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.351 -0.611 . . . . 2.2 109.351 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -64.88 -48.49 74.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.489 -0.778 . . . . 1.24 110.184 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -72.21 -38.89 68.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.961 -0.563 . . . . 0.22 110.526 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -58.21 -42.91 87.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.485 -0.779 . . . . 1.39 110.65 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -18.72 63.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.014 -0.539 . . . . 1.78 111.319 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.401 ' HB3' HD13 ' A' ' 15' ' ' LEU . 36.2 m-80 -99.37 -8.5 24.73 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.654 0.264 . . . . 1.78 110.808 178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.28 27.17 28.65 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.686 -0.768 . . . . 0.37 112.975 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -114.28 119.43 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.171 0.51 . . . . 0.46 110.892 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -144.8 145.71 31.77 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.429 -0.952 . . . . 1.86 108.429 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 177.71 -169.53 41.57 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.754 -0.736 . . . . 0.43 111.469 -176.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.92 136.41 57.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.092 -0.336 . . . . 2.79 110.092 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.402 ' HD1' ' O ' ' A' ' 44' ' ' GLY . 8.0 m95 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.191 0.52 . . . . 0.41 110.893 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 p -112.94 146.87 38.23 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.604 -0.726 . . . . 0.63 109.889 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.769 ' HB2' ' CE2' ' A' ' 55' ' ' TYR . 24.8 t80 -130.4 130.11 43.93 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 120.698 0.285 . . . . 1.18 111.092 -176.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.68 103.93 12.26 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.477 -1.305 . . . . 2.07 107.477 177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -68.12 -22.67 64.87 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.589 0.218 . . . . 2.28 111.589 -173.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.3 -33.28 69.56 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.763 0.316 . . . . 0.91 111.082 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.8 p -106.9 -3.29 20.4 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.247 0.462 . . . . 1.19 112.247 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.538 ' HD2' ' CE1' ' A' ' 6' ' ' TYR . 71.3 mmtt 52.48 49.87 19.5 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.759 0.79 . . . . 2.08 110.333 -177.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -125.04 130.6 52.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.902 -1.045 . . . . 0.51 111.471 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.769 ' CE2' ' HB2' ' A' ' 48' ' ' TYR . 1.0 OUTLIER -100.94 131.21 46.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.348 -0.982 . . . . 1.19 108.348 172.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.3 m -116.35 120.99 40.62 Favored 'General case' 0 C--N 1.318 -0.782 0 C-N-CA 120.861 -0.335 . . . . 0.96 111.062 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.4 p -106.12 110.74 32.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 N-CA-C 108.562 -0.903 . . . . 0.3 108.562 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.457 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 13.6 m -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.595 -0.729 . . . . 0.52 111.029 -176.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -79.18 135.08 36.7 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 107.95 -1.13 . . . . 2.56 107.95 178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -144.99 106.38 0.39 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.776 -1.202 . . . . 2.32 111.452 178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.7 p -126.29 123.21 37.57 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 120.836 0.351 . . . . 4.41 110.373 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.02 42.34 2.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.117 -0.563 . . . . 4.49 112.958 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -90.41 -25.54 25.69 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.754 -0.736 . . . . 6.24 111.34 179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 66.99 -74.12 0.07 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.541 0.736 . . . . 6.29 111.461 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -178.73 164.2 32.49 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.894 -0.669 . . . . 8.41 112.167 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.03 23.48 11.48 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 111.223 -0.751 . . . . 10.44 111.223 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -88.14 133.73 33.94 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.812 0.339 . . . . 12.25 110.672 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.52 -148.33 24.0 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.911 -0.661 . . . . 11.72 111.779 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.1 ptp -154.1 150.93 28.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.16 0.48 . . . . 14.29 110.632 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.2 mt -115.11 26.0 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 108.076 -1.083 . . . . 14.51 108.076 178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -89.98 21.7 3.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.755 -1.111 . . . . 16.8 111.673 -176.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -74.0 131.26 81.57 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 110.041 -0.355 . . . . 17.64 110.041 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -77.55 -179.54 5.53 Favored 'Trans proline' 0 C--O 1.238 0.517 0 C-N-CA 122.468 2.112 . . . . 20.1 112.97 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 66.35 -167.19 0.21 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.057 -0.974 . . . . 20.94 111.132 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.485 HD22 ' H ' ' A' ' 75' ' ' LEU . 2.9 mm? -63.46 119.52 54.22 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.416 -0.811 . . . . 22.94 110.336 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -65.28 153.6 77.47 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.164 1.91 . . . . 23.54 111.112 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -46.88 124.13 8.18 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.653 2.236 . . . . 25.03 111.783 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.6 27.74 Favored Glycine 0 CA--C 1.524 0.642 0 C-N-CA 120.311 -0.947 . . . . 26.59 113.475 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 74.0 m95 -93.36 131.7 38.27 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 117.694 0.747 . . . . 26.61 110.539 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.448 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 45.7 mt-10 -123.73 143.81 50.06 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.728 -0.471 . . . . 26.95 109.728 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.1 tmm? -117.41 127.89 54.47 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.471 -0.566 . . . . 25.77 109.471 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -143.91 157.34 44.42 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.428 -0.582 . . . . 28.23 109.428 -177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -109.56 151.16 27.15 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.031 -0.359 . . . . 29.77 110.031 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.7 p -80.9 -170.01 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 31.75 109.476 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 p -85.19 8.18 19.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.216 0.531 . . . . 34.32 111.471 -179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -121.1 0.82 10.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.446 0.641 . . . . 35.43 109.569 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.31 10.34 74.4 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.585 -0.816 . . . . 31.3 112.256 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.3 t -80.87 140.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 109.794 -0.447 . . . . 31.86 109.794 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -93.49 130.47 39.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.907 -0.588 . . . . 28.74 111.46 -175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -141.74 158.43 43.82 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.415 -0.587 . . . . 30.27 109.415 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -114.5 155.35 26.59 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.257 0.551 . . . . 28.69 111.341 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.448 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 57.6 t -127.08 122.23 59.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.763 -0.653 . . . . 29.13 111.167 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 98.32 10.52 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 108.377 -0.971 . . . . 29.7 108.377 175.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -72.86 -16.17 61.59 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.909 0.385 . . . . 29.9 110.665 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -75.89 -39.36 56.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.513 . . . . 31.42 111.145 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.8 p -104.6 -10.57 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 33.14 111.029 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.3 mtt180 62.97 56.7 1.77 Allowed 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 122.024 0.916 . . . . 35.29 110.764 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.2 p -139.83 157.88 45.0 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.788 -1.551 . . . . 32.59 110.049 -178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 p -98.15 147.92 24.09 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.076 -0.342 . . . . 32.77 110.076 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.8 t -145.81 153.3 40.75 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 109.408 -0.59 . . . . 30.32 109.408 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.725 ' HE1' ' HE2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -122.83 98.6 5.98 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.593 -0.443 . . . . 31.76 110.271 -176.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -142.02 112.87 7.35 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.442 -0.345 . . . . 28.42 111.42 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 105' ' ' ARG . 16.2 t70 -120.29 131.83 24.31 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.56 -0.533 . . . . 27.82 109.56 176.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.429 ' HG2' ' NH1' ' A' ' 105' ' ' ARG . 78.5 Cg_endo -86.4 16.98 1.84 Allowed 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.773 2.315 . . . . 26.03 114.445 -176.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.57 ' HB2' ' OD2' ' A' ' 103' ' ' ASP . 4.7 mpt_? -99.94 141.57 23.01 Favored Pre-proline 0 C--N 1.319 -0.742 0 C-N-CA 120.892 -0.323 . . . . 27.8 110.662 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.07 135.86 36.06 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.667 2.245 . . . . 29.2 112.609 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.17 -31.2 8.74 Favored Glycine 0 CA--C 1.523 0.532 0 C-N-CA 120.68 -0.771 . . . . 30.61 113.768 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.725 ' HE2' ' HE1' ' A' ' 101' ' ' PHE . 56.1 t80 -102.27 81.51 2.09 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 118.016 0.908 . . . . 30.1 110.119 -177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 118.571 -0.728 . . . . 32.01 109.111 178.58 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 111.159 -0.776 . . . . 4.75 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m 60.31 -159.82 0.3 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.616 0.366 . . . . 2.45 110.953 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -86.5 150.45 24.26 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.127 -0.694 . . . . 2.5 109.127 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.1 mtp -112.15 138.54 48.69 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.041 -0.355 . . . . 2.06 110.041 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -80.3 126.21 30.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.746 0.307 . . . . 1.9 110.836 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -119.93 146.49 45.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.306 -0.998 . . . . 0.83 108.306 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.635 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -124.68 151.58 44.78 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.837 0.351 . . . . 2.57 111.358 -176.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 19.1 tp -128.95 144.55 51.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.706 -0.679 . . . . 0.33 110.26 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.721 HG12 ' HG2' ' A' ' 18' ' ' GLU . 71.1 mt -126.89 117.55 48.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.862 -0.608 . . . . 0.62 109.438 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.454 HD21 ' HE2' ' A' ' 36' ' ' TYR . 1.1 mm? -90.67 110.5 21.67 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 109.1 -0.704 . . . . 0.25 109.1 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -107.92 87.37 2.48 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.737 -0.838 . . . . 1.96 108.737 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -132.95 -158.82 8.95 Favored Glycine 0 CA--C 1.506 -0.494 0 CA-C-N 115.462 -0.79 . . . . 0.91 111.592 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -94.67 -59.83 1.84 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.511 0.56 . . . . 3.26 112.511 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 m -95.3 1.03 54.32 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 121.555 0.693 . . . . 1.93 110.1 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.72 98.98 4.19 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 115.411 -0.813 . . . . 1.8 109.251 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -132.09 116.37 16.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.235 -0.893 . . . . 2.49 108.962 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.82 -170.93 43.44 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.254 -0.974 . . . . 0.39 111.855 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.721 ' HG2' HG12 ' A' ' 9' ' ' ILE . 33.6 mt-10 -136.99 167.89 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.282 . . . . 1.69 110.465 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.8 t -167.0 158.54 12.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.359 -0.608 . . . . 0.58 109.359 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.6 p -131.88 158.39 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.964 0.412 . . . . 0.38 111.701 -178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.4 t -160.2 157.22 27.89 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.88 -0.785 . . . . 0.38 108.88 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -97.57 145.55 26.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.748 0.308 . . . . 2.26 110.301 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -157.84 158.01 34.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.923 -0.769 . . . . 0.38 108.923 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.6 m -95.05 -11.03 8.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 120.399 -0.52 . . . . 1.09 112.27 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -142.7 156.54 45.04 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.109 -0.33 . . . . 2.13 110.109 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.43 -38.16 68.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.871 0.367 . . . . 0.59 110.881 -179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.01 -28.71 68.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.48 111.168 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -75.64 -28.35 58.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.12 -0.491 . . . . 0.46 110.982 -179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.29 71.83 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.379 0.609 . . . . 0.28 109.471 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -56.67 -65.42 0.62 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.82 -1.082 . . . . 1.29 110.08 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -48.08 -41.4 26.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.639 -1.164 . . . . 2.42 113.212 -175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -73.03 -48.12 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.961 0.41 . . . . 0.3 110.777 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.63 -20.55 64.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.2 -0.455 . . . . 1.11 111.418 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt -66.09 -39.9 90.37 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.086 0.47 . . . . 1.09 109.875 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -72.7 -32.6 65.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.345 -0.843 . . . . 2.2 108.754 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.454 ' HE2' HD21 ' A' ' 10' ' ' LEU . 56.4 t80 -65.45 -52.65 51.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.815 -0.629 . . . . 1.24 110.553 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.68 -32.76 74.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.315 -0.402 . . . . 0.22 110.152 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -63.91 -39.3 93.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.89 -0.595 . . . . 1.39 110.397 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.3 -27.37 67.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.001 -0.545 . . . . 1.78 111.086 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -93.36 -5.63 49.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.185 0.517 . . . . 1.78 110.636 -178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.71 14.73 77.27 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.783 -0.644 . . . . 0.37 113.596 177.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.94 123.18 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 117.303 0.552 . . . . 0.46 111.023 -179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -141.63 137.24 31.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.634 -0.712 . . . . 1.86 109.7 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.81 -170.15 41.9 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.925 -0.87 . . . . 0.43 110.925 -176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -64.51 147.57 52.51 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.978 0.389 . . . . 2.79 110.481 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -112.41 116.28 30.06 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.71 -0.677 . . . . 0.41 110.918 -177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.5 p -107.27 157.49 17.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.049 -0.523 . . . . 0.63 110.335 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -146.78 142.25 27.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.805 0.336 . . . . 1.18 110.58 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -122.2 138.98 54.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.822 -1.177 . . . . 2.07 107.822 177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.48 -30.84 21.7 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.529 -0.468 . . . . 2.28 111.419 -173.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -30.68 68.09 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.506 -0.315 . . . . 0.91 111.346 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.506 ' O ' ' HD3' ' A' ' 7' ' ' LYS . 19.5 p -110.92 -17.48 13.3 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.812 1.042 . . . . 1.19 113.812 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mptt 65.96 13.87 9.29 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.099 0.476 . . . . 2.08 110.911 -176.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.63 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 11.5 m -77.42 123.52 26.65 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.51 112.031 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.404 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 15.9 m-85 -96.61 135.64 38.23 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.158 -1.053 . . . . 1.19 108.158 172.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.48 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 85.0 m -129.37 129.77 45.18 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.987 0.422 . . . . 0.96 111.581 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -107.43 113.41 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 108.688 -0.856 . . . . 0.3 108.688 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 m -102.22 125.21 48.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.735 -0.666 . . . . 0.52 111.091 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.54 88.78 7.02 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 116.005 -0.543 . . . . 2.56 110.78 -177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.31 153.15 13.72 Favored Glycine 0 C--N 1.341 0.807 0 N-CA-C 114.923 0.729 . . . . 2.32 114.923 172.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 m -102.37 -52.41 3.13 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.435 -0.58 . . . . 4.41 109.435 175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.94 120.83 1.58 Allowed Glycine 0 CA--C 1.523 0.531 0 C-N-CA 120.887 -0.673 . . . . 4.49 112.77 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.81 7.07 82.42 Favored Glycine 0 C--N 1.334 0.451 0 C-N-CA 120.307 -0.949 . . . . 6.24 111.985 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 68.48 173.47 0.28 Allowed 'General case' 0 C--O 1.236 0.35 0 C-N-CA 123.403 0.681 . . . . 6.29 111.64 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -119.47 170.6 14.07 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.473 -0.785 . . . . 8.41 111.625 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.2 -36.8 55.74 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 121.112 -0.566 . . . . 10.44 112.694 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 64.44 -178.46 0.17 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.899 0.381 . . . . 12.25 110.984 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.44 -179.53 28.13 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.954 -0.641 . . . . 11.72 113.032 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.2 tpt -149.43 113.19 5.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.47 -0.567 . . . . 14.29 109.47 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.6 mm -134.18 92.67 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 109.862 -0.421 . . . . 14.51 109.862 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -123.69 9.74 8.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.714 0.769 . . . . 16.8 110.604 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 mp0 -81.9 152.62 69.12 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 114.607 -1.179 . . . . 17.64 110.184 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.28 169.04 23.37 Favored 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 122.17 1.913 . . . . 20.1 111.753 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.67 178.15 2.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.711 -0.677 . . . . 20.94 111.126 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.41 150.41 51.48 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.207 -0.664 . . . . 22.94 109.207 178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -52.12 153.39 12.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.79 1.66 . . . . 23.54 111.88 176.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -62.36 131.01 32.19 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.064 1.843 . . . . 25.03 111.229 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 92.56 -22.64 32.09 Favored Glycine 0 CA--C 1.523 0.585 0 C-N-CA 120.537 -0.84 . . . . 26.59 112.808 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -93.38 141.07 28.86 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.072 0.436 . . . . 26.61 110.61 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.674 ' HG2' ' HE2' ' A' ' 82' ' ' LYS . 6.8 tp10 -134.07 149.27 51.13 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.531 -0.544 . . . . 26.95 109.531 178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -129.26 123.53 32.17 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.543 -0.299 . . . . 25.77 110.355 -177.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.674 ' HE2' ' HG2' ' A' ' 80' ' ' GLU . 63.2 mttm -146.11 157.34 43.84 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.003 -0.74 . . . . 28.23 109.003 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -103.68 150.92 23.57 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.23 -0.285 . . . . 29.77 110.23 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.1 p -78.58 -174.64 3.95 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 109.652 -0.499 . . . . 31.75 109.652 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -39.29 87.67 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.958 0.355 . . . . 34.32 111.958 -178.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.72 7.27 24.23 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 120.828 0.347 . . . . 35.43 110.951 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 79.57 25.92 57.75 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.506 -0.854 . . . . 31.3 113.412 179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 79.5 t -82.41 138.4 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.131 -0.692 . . . . 31.86 109.131 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 61.2 ttt180 -84.66 122.22 28.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.197 -0.456 . . . . 28.74 112.151 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -133.48 156.27 48.06 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.837 -0.801 . . . . 30.27 108.837 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -116.59 149.94 38.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.762 0.315 . . . . 28.69 110.789 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 56.2 t -113.98 107.06 21.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 29.13 110.983 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.24 96.3 5.2 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 109.091 -0.707 . . . . 29.7 109.091 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -73.64 -14.72 61.22 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.319 -0.552 . . . . 29.9 110.961 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -75.07 -35.73 61.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 31.42 111.467 -178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 p -113.69 -1.97 13.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.072 0.463 . . . . 33.14 110.878 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 59.15 74.27 0.45 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 115.058 -0.974 . . . . 35.29 111.268 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 t -160.94 177.84 9.98 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.476 -1.238 . . . . 32.59 110.605 -178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.6 p -123.65 145.23 49.1 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.104 -0.702 . . . . 32.77 109.104 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.6 t -150.57 158.43 44.15 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.918 -0.489 . . . . 30.32 111.325 -177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -110.5 102.41 11.02 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.681 -0.69 . . . . 31.76 110.668 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 102' ' ' LYS . 26.6 mtpp -132.98 94.85 3.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.748 0.309 . . . . 28.42 110.839 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -120.26 139.23 28.22 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.117 -0.697 . . . . 27.82 109.117 177.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -62.11 -14.96 40.9 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.909 2.406 . . . . 26.03 113.359 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -97.09 109.72 50.66 Favored Pre-proline 0 CA--C 1.534 0.338 0 C-N-CA 121.176 -0.209 . . . . 27.8 110.589 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.92 118.93 3.83 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 121.291 1.327 . . . . 29.2 111.825 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.21 -28.47 2.61 Favored Glycine 0 CA--C 1.522 0.49 0 CA-C-N 116.046 -0.524 . . . . 30.61 112.313 -178.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.5 t80 66.9 7.82 5.6 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.087 0.47 . . . . 30.1 110.564 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 . . . . . 0 C--O 1.249 1.033 0 N-CA-C 108.86 -0.793 . . . . 32.01 108.86 -179.683 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.989 0 N-CA-C 111.619 -0.593 . . . . 4.75 111.619 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t 71.75 -58.99 0.57 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.238 0.615 . . . . 2.45 110.978 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -111.41 169.4 8.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.324 -0.398 . . . . 2.5 110.152 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 16.0 ptp -129.84 134.52 47.59 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.141 -1.059 . . . . 2.06 108.141 175.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -70.39 133.7 47.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 1.9 112.225 -174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -130.27 143.44 50.78 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.694 -0.854 . . . . 0.83 108.694 174.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.716 ' HB3' HG22 ' A' ' 20' ' ' THR . 5.2 ptpp? -133.01 156.64 46.97 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.017 0.437 . . . . 2.57 111.649 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.579 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 9.6 tp -132.73 137.1 46.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.155 -0.93 . . . . 0.33 109.449 178.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.7 mt -116.25 121.59 67.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.865 -0.791 . . . . 0.62 108.865 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 2.0 mm? -89.49 108.84 19.88 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.411 -0.588 . . . . 0.25 109.411 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.659 ' CB ' HG23 ' A' ' 58' ' ' THR . 7.9 m120 -102.15 86.84 2.93 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.298 -0.865 . . . . 1.96 108.879 177.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.589 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -154.72 142.11 8.74 Favored Glycine 0 N--CA 1.438 -1.198 0 C-N-CA 119.91 -1.138 . . . . 0.91 111.928 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.581 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 25.5 mtpp -52.72 -27.88 19.54 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 123.947 0.899 . . . . 3.26 112.524 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.5 m -91.0 -26.48 19.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.742 0.306 . . . . 1.93 111.335 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -147.57 102.56 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 1.8 111.226 -176.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.589 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 2.6 mptt -114.13 119.8 38.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.905 -0.776 . . . . 2.49 108.905 175.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 176.97 -167.35 38.61 Favored Glycine 0 CA--C 1.499 -0.945 0 N-CA-C 111.365 -0.694 . . . . 0.39 111.365 -176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -164.02 156.33 17.17 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 120.711 0.291 . . . . 1.69 110.362 -178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.1 t -152.1 172.24 16.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.015 -0.539 . . . . 0.58 109.63 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.716 HG22 ' HB3' ' A' ' 7' ' ' LYS . 20.1 p -132.5 157.81 43.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.852 0.358 . . . . 0.38 111.951 -177.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -150.92 148.4 28.37 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.777 -0.647 . . . . 0.38 109.409 176.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -96.5 104.02 15.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.832 -0.433 . . . . 2.26 109.832 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -108.14 158.38 17.47 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.571 -0.451 . . . . 0.38 110.446 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.02 7.15 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.538 0.209 . . . . 1.09 111.388 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -159.72 166.96 29.45 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.985 -0.746 . . . . 2.13 108.985 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.92 -57.85 3.54 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.951 0.352 . . . . 0.59 111.951 -176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.02 -24.6 64.64 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.838 0.31 . . . . 0.48 111.838 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 m -67.21 -28.43 68.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.909 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.28 -35.84 63.76 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.99 0.424 . . . . 0.28 110.148 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 7.1 tt0 -62.58 -60.26 3.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.408 -0.815 . . . . 1.29 109.965 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -48.61 -41.4 30.8 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.242 -0.89 . . . . 2.42 113.117 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.7 t -75.79 -50.44 23.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 122.265 -0.272 . . . . 0.3 111.36 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.414 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 4.3 m-85 -64.06 -22.0 66.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.577 0.214 . . . . 1.11 111.577 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.595 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.2 mtpt -70.51 -41.18 72.96 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.989 0.423 . . . . 1.09 109.908 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -65.61 -34.46 78.28 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.882 -0.785 . . . . 2.2 108.882 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.414 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 34.1 t80 -65.13 -53.09 50.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.92 -1.037 . . . . 1.24 110.787 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.5 -30.06 70.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.16 0.505 . . . . 0.22 110.729 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -65.31 -25.29 67.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.564 -0.744 . . . . 1.39 110.853 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.19 -31.28 38.79 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.305 0.483 . . . . 1.78 112.305 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -92.75 -6.15 49.68 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 120.216 -0.594 . . . . 1.78 110.883 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.86 32.9 48.05 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.773 -0.648 . . . . 0.37 113.586 176.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -105.65 120.85 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-O 121.091 0.472 . . . . 0.46 110.319 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.06 138.54 46.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.81 -0.632 . . . . 1.86 109.763 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.26 -170.43 42.04 Favored Glycine 0 N--CA 1.442 -0.91 0 N-CA-C 111.035 -0.826 . . . . 0.43 111.035 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.65 143.17 54.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.563 0.22 . . . . 2.79 110.434 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.595 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.5 m95 -110.55 101.32 10.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.382 0.611 . . . . 0.41 110.463 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.48 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 12.1 p -103.89 160.16 15.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 0.63 110.787 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -147.94 142.85 26.88 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.693 0.282 . . . . 1.18 110.841 -178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -126.75 144.54 50.91 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.449 -0.945 . . . . 2.07 108.449 177.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -90.16 -20.79 22.67 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.625 -0.43 . . . . 2.28 111.303 -174.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.47 -35.96 73.61 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 121.062 -0.255 . . . . 0.91 111.655 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.6 p -118.44 4.3 11.79 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.758 0.651 . . . . 1.19 112.758 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 49.93 47.34 23.35 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-O 121.533 0.682 . . . . 2.08 110.063 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 m -112.02 121.89 46.25 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.549 -0.751 . . . . 0.51 112.218 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.579 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 48.9 m-85 -87.94 130.54 34.9 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 106.763 -1.569 . . . . 1.19 106.763 171.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.48 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 30.6 m -125.38 126.02 44.34 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 121.851 -0.531 . . . . 0.96 111.605 -177.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.2 p -113.66 114.64 47.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 108.432 -0.951 . . . . 0.3 108.432 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.659 HG23 ' CB ' ' A' ' 11' ' ' ASN . 1.2 m -118.75 128.5 54.55 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.816 -0.629 . . . . 0.52 111.773 -174.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -80.13 153.94 28.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.659 -0.7 . . . . 2.56 109.485 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.62 170.03 15.41 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.431 -0.89 . . . . 2.32 112.0 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.3 t -105.32 -35.75 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.985 0.422 . . . . 4.41 110.325 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.07 -59.66 4.86 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.875 -0.678 . . . . 4.49 112.404 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.86 -41.17 50.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.492 -0.861 . . . . 6.24 112.036 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.25 100.07 11.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.953 -0.388 . . . . 6.29 109.953 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -152.68 38.23 0.76 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.632 -0.794 . . . . 8.41 112.144 -178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.2 -21.94 46.96 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.57 -0.824 . . . . 10.44 112.078 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 64.9 -165.29 0.24 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.99 0.424 . . . . 12.25 111.456 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.61 -119.46 1.16 Allowed Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.794 -0.717 . . . . 11.72 111.367 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 45.0 ttp -149.95 164.15 36.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 117.55 0.675 . . . . 14.29 109.289 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.9 mt -137.9 95.39 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.241 -0.652 . . . . 14.51 109.241 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -120.21 7.16 10.74 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.856 0.836 . . . . 16.8 109.777 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -77.45 151.35 80.52 Favored Pre-proline 0 C--N 1.313 -1.006 0 CA-C-N 114.275 -1.33 . . . . 17.64 110.097 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.84 -178.62 0.42 Allowed 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.962 2.441 . . . . 20.1 113.543 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -127.83 -178.12 4.38 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.939 -1.028 . . . . 20.94 111.15 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 79' ' ' TRP . 4.4 mm? -83.08 136.0 44.25 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.052 -0.522 . . . . 22.94 110.831 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 75' ' ' LEU . 32.0 Cg_exo -65.5 159.55 47.28 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.33 2.02 . . . . 23.54 110.429 175.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.79 128.78 26.71 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 121.819 1.679 . . . . 25.03 111.09 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.93 -29.34 12.71 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.631 -0.795 . . . . 26.59 112.622 -176.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.503 ' HB3' HD12 ' A' ' 75' ' ' LEU . 77.6 m95 -88.13 122.1 31.3 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 117.319 0.56 . . . . 26.61 109.954 177.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.6 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 23.7 mt-10 -110.56 149.5 30.3 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.482 -0.487 . . . . 26.95 110.977 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.477 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . 7.8 ttt -121.1 126.39 49.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.807 -0.633 . . . . 25.77 110.318 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.436 ' NZ ' HG21 ' A' ' 92' ' ' VAL . 45.4 mttp -143.18 158.08 43.94 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.307 -0.627 . . . . 28.23 109.307 -176.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -110.58 162.06 15.09 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-O 121.069 0.461 . . . . 29.77 111.979 -178.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 4.5 p -103.28 176.05 5.27 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.632 -1.248 . . . . 31.75 107.632 172.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 p -80.85 8.06 9.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.889 -0.507 . . . . 34.32 112.332 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -109.75 -0.3 18.54 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.332 -0.618 . . . . 35.43 109.332 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 89.82 7.35 68.69 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.685 -0.688 . . . . 31.3 112.093 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.3 t -81.93 140.07 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.046 0.45 . . . . 31.86 110.925 -178.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -99.69 115.81 30.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.432 -0.803 . . . . 28.74 110.763 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -122.45 156.07 34.83 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.308 -0.627 . . . . 30.27 109.308 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 81' ' ' MET . 86.1 m-85 -120.86 153.54 37.01 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-O 121.459 0.647 . . . . 28.69 111.396 -176.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.6 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 48.5 t -117.96 103.97 15.54 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.785 -1.098 . . . . 29.13 110.167 -177.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -79.61 124.64 28.72 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 107.395 -1.335 . . . . 29.7 107.395 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -87.97 -12.38 44.71 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 113.41 0.893 . . . . 29.9 113.41 -171.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -89.14 -36.7 15.56 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 119.618 -0.833 . . . . 31.42 111.332 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.5 p -90.07 -19.0 24.87 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.065 -0.397 . . . . 33.14 110.083 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 60.4 43.54 13.22 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 122.465 1.126 . . . . 35.29 109.445 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.8 m -133.58 142.44 48.14 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 113.077 -1.874 . . . . 32.59 108.995 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -88.21 143.14 27.22 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.128 0.422 . . . . 32.77 110.574 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.0 t -151.09 155.08 38.21 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.804 0.335 . . . . 30.32 110.691 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -99.36 100.47 11.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.366 -0.605 . . . . 31.76 109.366 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -132.44 104.47 6.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.858 0.361 . . . . 28.42 111.381 -176.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -98.96 139.33 20.95 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.258 -0.428 . . . . 27.82 110.122 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -68.68 -21.54 38.86 Favored 'Trans proline' 0 CA--C 1.534 0.499 0 C-N-CA 122.881 2.387 . . . . 26.03 113.997 -178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.55 128.13 60.32 Favored Pre-proline 0 C--N 1.331 -0.224 0 C-N-CA 120.489 -0.484 . . . . 27.8 109.864 -179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.43 118.47 5.36 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.722 1.614 . . . . 29.2 112.349 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.89 -26.25 1.74 Allowed Glycine 0 CA--C 1.525 0.692 0 CA-C-O 119.251 -0.749 . . . . 30.61 113.553 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.5 p90 40.41 36.27 0.34 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.52 0.728 . . . . 30.1 111.587 -177.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 . . . . . 0 C--O 1.25 1.1 0 CA-C-N 115.058 -0.974 . . . . 32.01 108.845 -178.424 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.457 0 N-CA-C 111.824 -0.51 . . . . 4.75 111.824 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 m -90.76 147.93 22.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.617 0.246 . . . . 2.45 110.535 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.45 ' HD2' ' H ' ' A' ' 3' ' ' HIS . 0.3 OUTLIER -110.06 130.43 55.54 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.765 -0.457 . . . . 2.5 109.765 179.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 68.7 mtp -102.23 138.76 38.74 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 120.861 -0.335 . . . . 2.06 110.208 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -83.81 118.32 23.86 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.279 -0.419 . . . . 1.9 110.406 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -100.93 152.57 20.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.83 109.924 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.404 ' HB3' HG23 ' A' ' 54' ' ' THR . 79.2 tttt -117.12 136.29 53.12 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.01 -0.541 . . . . 2.57 110.292 -178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.3 tp -118.98 141.8 48.35 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.575 -0.45 . . . . 0.33 110.35 175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -123.86 113.65 37.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.943 -0.762 . . . . 0.62 108.943 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.2 mm? -87.32 109.52 19.58 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.563 -0.903 . . . . 0.25 108.563 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -103.74 87.75 2.89 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.962 -0.755 . . . . 1.96 108.962 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.17 -173.26 13.82 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.005 -1.093 . . . . 0.91 113.432 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HG2' ' H ' ' A' ' 13' ' ' LYS . 8.2 pttp -80.42 -60.37 2.35 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.326 -0.437 . . . . 3.26 112.103 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 m -94.05 -25.83 17.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.815 0.341 . . . . 1.93 110.632 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 mt -120.49 106.25 11.63 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.395 -0.366 . . . . 1.8 111.875 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -133.85 137.96 45.33 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.438 -0.949 . . . . 2.49 108.438 175.041 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.43 -162.25 30.11 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.79 -0.719 . . . . 0.39 111.659 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -137.32 164.36 28.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.751 0.31 . . . . 1.69 110.502 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.439 HG21 ' CE2' ' A' ' 36' ' ' TYR . 8.9 t -161.75 168.37 23.34 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.93 -0.767 . . . . 0.58 108.93 176.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.6 p -137.62 152.8 49.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.53 0.205 . . . . 0.38 111.287 -176.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.0 t -154.58 156.21 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.395 -0.595 . . . . 0.38 109.395 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -99.6 139.76 34.79 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.833 -0.432 . . . . 2.26 109.833 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -154.46 151.64 29.19 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.16 -0.311 . . . . 0.38 110.16 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.8 m -97.02 -8.55 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 120.662 0.268 . . . . 1.09 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -137.47 158.78 43.67 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 109.453 -0.573 . . . . 2.13 109.453 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.79 -44.13 51.15 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.582 -0.525 . . . . 0.59 109.582 177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.57 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -58.87 -40.86 85.61 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.5 -0.773 . . . . 0.48 111.008 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 m -67.9 -28.16 67.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.863 -0.608 . . . . 0.46 111.597 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.63 -38.17 67.82 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 121.294 0.569 . . . . 0.28 109.537 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 26.6 tt0 -60.02 -55.75 30.15 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.781 -1.1 . . . . 1.29 109.722 177.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.5 mmtp -50.11 -44.87 52.42 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.349 -0.841 . . . . 2.42 112.622 -177.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -71.38 -48.15 55.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.078 0.466 . . . . 0.3 111.137 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -67.71 -22.38 65.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.789 -0.641 . . . . 1.11 111.77 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.7 mtpp -71.1 -41.48 70.56 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.916 -0.401 . . . . 1.09 109.916 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.41 -33.87 76.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.291 -0.633 . . . . 2.2 109.291 174.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.464 ' HE2' HD21 ' A' ' 10' ' ' LEU . 47.6 t80 -64.43 -50.25 68.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.631 -0.713 . . . . 1.24 110.554 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.98 -34.13 75.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 0.22 109.949 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.17 -45.74 90.23 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.139 -0.937 . . . . 1.39 110.758 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.28 -23.94 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.78 111.261 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -88.94 -18.41 27.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.341 -0.39 . . . . 1.78 110.851 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.44 16.21 55.67 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.857 -0.687 . . . . 0.37 112.714 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.43 122.28 55.8 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-O 120.976 0.417 . . . . 0.46 110.42 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -144.66 139.46 28.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 1.86 109.705 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.62 -170.82 42.94 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.72 -0.952 . . . . 0.43 110.72 -176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.46 150.15 32.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.891 0.345 . . . . 2.79 110.343 178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.64 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.1 m95 -114.12 107.71 16.0 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 0.41 111.482 -175.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.5 p -100.9 154.92 18.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.977 -0.556 . . . . 0.63 110.176 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -156.19 154.47 30.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.18 110.692 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -134.2 138.68 45.29 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.003 -0.74 . . . . 2.07 109.003 176.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.597 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 36.7 t70 -90.39 5.0 49.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.211 0.529 . . . . 2.28 111.341 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -90.47 -40.15 12.18 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 121.843 -0.536 . . . . 0.91 111.709 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.4 p -113.46 -3.35 13.72 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.296 0.85 . . . . 1.19 113.296 -176.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER 61.28 29.17 18.52 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-O 121.035 0.445 . . . . 2.08 110.407 -179.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.404 HG23 ' HB3' ' A' ' 7' ' ' LYS . 2.4 m -97.32 123.9 41.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.445 -0.343 . . . . 0.51 111.284 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -98.96 149.48 22.93 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.269 -0.641 . . . . 1.19 109.269 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.5 m -142.07 126.59 17.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.045 0.45 . . . . 0.96 111.309 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.5 p -106.12 112.9 41.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.155 -1.054 . . . . 0.3 108.155 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.1 m -104.31 126.36 51.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.601 -0.727 . . . . 0.52 112.004 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.94 113.98 25.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.315 -0.994 . . . . 2.56 108.315 176.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 112.62 109.35 2.98 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.279 -0.962 . . . . 2.32 111.017 -177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.8 m -126.06 169.86 12.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.766 0.317 . . . . 4.41 111.103 -176.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.0 167.32 29.28 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.901 -0.59 . . . . 4.49 113.128 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -131.21 6.59 5.68 Favored Glycine 0 N--CA 1.443 -0.87 0 N-CA-C 111.661 -0.576 . . . . 6.24 111.661 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 73.39 -64.52 0.39 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.589 0.756 . . . . 6.29 111.56 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 157.29 -174.36 34.81 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.471 -0.652 . . . . 8.41 111.471 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.0 -40.98 1.47 Allowed Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.967 -0.635 . . . . 10.44 112.615 -178.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -133.4 107.27 7.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.832 0.349 . . . . 12.25 110.203 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.26 49.96 0.28 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.748 -0.739 . . . . 11.72 112.052 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.2 tpt -147.32 83.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.168 0.509 . . . . 14.29 110.472 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 78.7 mt -143.01 95.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.131 -0.692 . . . . 14.51 109.131 178.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -125.54 10.17 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.159 0.504 . . . . 16.8 110.541 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -92.3 146.42 32.54 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 115.535 -0.757 . . . . 17.64 110.044 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.23 176.28 7.35 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.624 2.216 . . . . 20.1 113.372 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.68 178.3 10.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.008 -0.996 . . . . 20.94 110.061 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -95.33 148.89 35.37 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 110.057 -0.349 . . . . 22.94 110.057 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 16.5 Cg_exo -71.19 154.37 61.93 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.15 1.9 . . . . 23.54 111.146 178.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_exo -49.88 124.37 12.4 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.915 2.41 . . . . 25.03 112.564 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.43 -25.46 24.41 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 120.663 -0.78 . . . . 26.59 113.974 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.481 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 77.8 m95 -87.17 137.88 31.97 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 117.795 0.797 . . . . 26.61 110.025 178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.598 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 95.8 mt-10 -132.01 129.89 40.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 120.842 0.353 . . . . 26.95 110.521 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 16.9 ttt -94.86 129.54 41.81 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.093 -0.706 . . . . 25.77 109.093 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -143.77 157.36 44.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.683 -0.488 . . . . 28.23 109.683 -174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -116.09 146.4 42.25 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 110.218 -0.29 . . . . 29.77 110.218 178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.475 ' OG1' ' HB ' ' A' ' 88' ' ' VAL . 58.4 p -82.9 -175.0 5.59 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.442 -0.577 . . . . 31.75 109.442 174.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 p -57.79 -48.19 80.41 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.306 0.484 . . . . 34.32 112.306 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.35 9.85 12.11 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 111.885 0.328 . . . . 35.43 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.07 24.5 48.18 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.653 -0.784 . . . . 31.3 113.983 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.475 ' HB ' ' OG1' ' A' ' 84' ' ' THR . 92.4 t -80.48 124.5 38.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 117.417 0.609 . . . . 31.86 109.487 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.1 117.84 17.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.721 -0.672 . . . . 28.74 111.424 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -131.14 154.36 48.41 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.19 -0.67 . . . . 30.27 109.19 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -112.32 145.82 39.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.296 0.57 . . . . 28.69 111.022 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.598 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 65.5 t -114.92 112.42 39.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.286 -0.87 . . . . 29.13 111.365 -177.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -80.72 92.29 6.01 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.985 -1.117 . . . . 29.7 107.985 174.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -77.44 6.57 6.73 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.123 0.487 . . . . 29.9 110.452 -175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -90.27 -50.81 5.76 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.074 -0.512 . . . . 31.42 110.807 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 p -105.89 4.51 29.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.933 0.345 . . . . 33.14 111.933 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 60.51 76.98 0.34 Allowed 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.859 0.838 . . . . 35.29 110.901 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.92 157.99 38.6 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.394 -1.275 . . . . 32.59 110.045 -176.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.4 p -123.27 132.7 54.11 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.808 -0.442 . . . . 32.77 109.808 178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 13.0 t -139.56 158.52 43.98 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-O 121.327 0.584 . . . . 30.32 111.54 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -108.66 99.56 8.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 31.76 110.122 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.14 112.54 7.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.834 0.349 . . . . 28.42 110.346 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -104.07 145.4 30.59 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.092 -0.707 . . . . 27.82 109.092 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.487 ' HB2' HH11 ' A' ' 105' ' ' ARG . 0.9 OUTLIER -49.05 -37.32 37.53 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.733 2.288 . . . . 26.03 112.811 178.473 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.487 HH11 ' HB2' ' A' ' 104' ' ' PRO . 4.7 mpt_? -110.37 111.98 57.26 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.763 -0.199 . . . . 27.8 110.54 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -79.38 132.85 10.37 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 121.939 1.759 . . . . 29.2 112.877 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.67 -32.35 3.7 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-O 119.345 -0.697 . . . . 30.61 113.589 176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.7 p90 41.46 30.14 0.12 Allowed 'General case' 0 N--CA 1.492 1.674 0 C-N-CA 123.807 0.843 . . . . 30.1 112.968 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.161 -0.923 . . . . 32.01 111.265 -179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.459 -0.256 . . . . 4.75 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t 68.09 176.94 0.26 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.12 0.486 . . . . 2.45 111.159 178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.448 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 62.9 m170 -119.86 162.6 18.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 2.5 110.067 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 80.2 mtp -136.24 134.7 38.37 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.431 -0.951 . . . . 2.06 108.431 175.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.543 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 6.6 tp-100 -79.6 135.09 36.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.972 0.415 . . . . 1.9 111.317 -176.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -127.14 152.6 47.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.407 -0.815 . . . . 0.83 109.257 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' O ' ' HA ' ' A' ' 54' ' ' THR . 28.5 ttmt -132.89 133.31 43.11 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.461 -0.2 . . . . 2.57 110.461 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.8 tp -116.33 141.84 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.861 -0.422 . . . . 0.33 109.861 175.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.843 HG12 ' HG2' ' A' ' 18' ' ' GLU . 77.6 mt -118.15 123.28 71.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 108.97 -0.752 . . . . 0.62 108.97 177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.4 mm? -92.61 106.0 18.06 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.575 -0.45 . . . . 0.25 110.088 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -96.68 87.46 4.36 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.697 -0.853 . . . . 1.96 108.697 176.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.36 -166.82 11.78 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.168 -0.924 . . . . 0.91 111.854 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -90.24 -57.13 2.95 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 111.809 0.3 . . . . 3.26 111.809 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -101.51 5.55 41.9 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.172 0.51 . . . . 1.93 110.729 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.48 98.77 4.03 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.641 -0.709 . . . . 1.8 109.533 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 10' ' ' LEU . 18.7 mtpp -133.42 110.56 10.09 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.499 -0.773 . . . . 2.49 109.244 179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.07 -165.72 35.37 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.912 -0.661 . . . . 0.39 111.81 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.843 ' HG2' HG12 ' A' ' 9' ' ' ILE . 26.4 mt-10 -138.34 168.29 20.07 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.761 0.28 . . . . 1.69 110.894 -178.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.42 HG21 ' CZ ' ' A' ' 36' ' ' TYR . 9.3 t -163.92 149.86 11.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.66 -0.7 . . . . 0.58 109.543 175.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.543 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 38.8 p -116.84 163.46 16.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.595 -0.275 . . . . 0.38 110.951 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -158.35 153.23 25.06 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.638 -0.505 . . . . 0.38 109.638 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 30.9 mt-10 -98.23 105.66 17.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.573 -0.285 . . . . 2.26 110.265 -178.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.83 152.34 47.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.856 -0.424 . . . . 0.38 109.856 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' HG22 ' A' ' 24' ' ' VAL . 7.1 p -101.92 0.93 10.42 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 CA-C-O 121.429 0.633 . . . . 1.09 110.896 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -146.39 157.06 43.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 2.13 111.145 -176.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.07 46.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.737 -0.665 . . . . 0.59 111.443 -176.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.53 -35.6 70.74 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.613 -0.514 . . . . 0.48 109.613 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -64.61 -29.5 70.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.63 -0.714 . . . . 0.46 110.249 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.33 -38.17 63.35 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.131 0.491 . . . . 0.28 109.687 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.607 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 16.8 tt0 -61.02 -53.75 53.39 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.409 -0.814 . . . . 1.29 109.488 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -54.7 -44.85 73.8 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 113.035 0.754 . . . . 2.42 113.035 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.5 t -67.54 -48.33 77.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 120.846 0.355 . . . . 0.3 111.215 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.468 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 3.1 m-85 -70.55 -21.86 62.66 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.58 0.585 . . . . 1.11 112.58 -178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.607 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 45.7 mtpt -77.16 -39.22 49.84 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.551 -0.537 . . . . 1.09 109.551 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -39.04 93.23 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.496 -1.298 . . . . 2.2 107.496 174.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.468 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 34.3 t80 -60.84 -55.26 35.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.132 -1.395 . . . . 1.24 110.725 175.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.93 -27.0 67.9 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.363 0.601 . . . . 0.22 110.789 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -68.63 -26.81 65.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 1.39 110.408 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -75.07 -30.6 61.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 1.78 111.021 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -100.17 2.73 43.24 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.9 0.381 . . . . 1.78 110.857 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.56 36.47 93.19 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 115.541 -0.754 . . . . 0.37 113.858 177.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.69 109.23 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 CA-C-O 121.212 0.53 . . . . 0.46 110.517 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -129.68 137.93 50.89 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.565 -0.743 . . . . 1.86 109.229 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.05 -171.53 43.58 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.654 -0.979 . . . . 0.43 110.654 -176.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.23 143.64 52.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.775 0.321 . . . . 2.79 110.731 178.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.552 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.6 m95 -113.12 141.36 47.0 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.724 -0.671 . . . . 0.41 111.204 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -135.91 159.1 42.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.578 -0.737 . . . . 0.63 109.826 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -143.9 131.12 20.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.798 0.332 . . . . 1.18 111.839 -178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -108.47 131.8 54.44 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.128 -1.434 . . . . 2.07 107.128 174.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -85.37 -24.76 27.43 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.226 -0.59 . . . . 2.28 111.724 -172.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.25 -30.29 66.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.869 0.366 . . . . 0.91 111.038 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.0 p -111.0 -6.9 14.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.085 0.772 . . . . 1.19 113.085 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 56.35 32.82 21.21 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 121.78 0.8 . . . . 2.08 110.001 -177.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' A' ' 7' ' ' LYS . 78.5 m -102.19 114.46 28.63 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.766 -1.106 . . . . 0.51 112.486 -176.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 54.5 m-85 -85.48 139.61 31.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.433 -0.951 . . . . 1.19 108.433 171.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 m -127.16 131.48 50.72 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 120.611 -0.435 . . . . 0.96 110.957 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.0 p -113.63 116.25 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 108.971 -0.751 . . . . 0.3 108.971 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.1 m -102.13 119.6 39.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.691 -0.686 . . . . 0.52 111.159 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.57 110.4 17.62 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.738 -0.664 . . . . 2.56 109.346 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.64 142.93 8.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.276 -0.964 . . . . 2.32 111.749 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 p -122.45 135.52 54.69 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.244 -0.28 . . . . 4.41 110.244 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.86 -39.79 1.04 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.977 -0.63 . . . . 4.49 112.055 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.66 29.07 8.88 Favored Glycine 0 N--CA 1.454 -0.165 0 C-N-CA 121.123 -0.56 . . . . 6.24 112.354 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 71.42 158.39 0.19 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.583 0.753 . . . . 6.29 111.547 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -164.95 107.04 0.29 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.792 -0.718 . . . . 8.41 112.137 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.39 -9.29 4.12 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.008 -0.615 . . . . 10.44 112.28 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 64.25 -73.15 0.05 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.635 0.774 . . . . 12.25 111.898 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.67 -31.04 2.79 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.395 -0.907 . . . . 11.72 112.941 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -100.49 133.22 45.24 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 122.613 -0.345 . . . . 14.29 110.837 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 31.4 mm -135.21 -52.63 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.518 0.199 . . . . 14.51 110.649 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -100.54 19.35 17.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.9 0.381 . . . . 16.8 111.074 -178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -98.46 126.88 37.82 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 116.4 -0.364 . . . . 17.64 110.964 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -78.64 -178.42 4.63 Favored 'Trans proline' 0 CA--C 1.517 -0.349 0 C-N-CA 122.562 2.175 . . . . 20.1 112.818 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -138.53 130.13 27.68 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.318 -0.855 . . . . 20.94 111.091 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.0 mm? -90.65 130.06 42.48 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 22.94 109.79 178.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.86 147.36 94.73 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.008 1.805 . . . . 23.54 111.294 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -45.07 127.27 8.52 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.013 2.475 . . . . 25.03 112.491 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.16 -26.33 24.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.024 -1.084 . . . . 26.59 113.437 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -90.53 140.93 29.27 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 117.488 0.644 . . . . 26.61 111.2 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -125.15 150.86 46.49 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.761 -0.459 . . . . 26.95 109.761 176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -128.78 132.37 47.87 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.363 -0.606 . . . . 25.77 109.363 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -146.42 157.06 43.72 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 110.094 -0.335 . . . . 28.23 110.094 -175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -109.82 153.92 23.72 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.849 0.357 . . . . 29.77 111.241 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.446 ' OG1' ' HB ' ' A' ' 88' ' ' VAL . 82.3 p -91.65 -169.35 2.27 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.146 -0.479 . . . . 31.75 110.096 175.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -62.03 -49.04 77.61 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.296 0.48 . . . . 34.32 112.296 -178.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -83.65 9.12 12.35 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 116.35 -0.386 . . . . 35.43 111.656 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.4 19.66 58.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.483 -0.865 . . . . 31.3 113.22 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.446 ' HB ' ' OG1' ' A' ' 84' ' ' THR . 95.3 t -80.95 123.41 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.6 -0.518 . . . . 31.86 109.6 178.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -84.69 130.81 34.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 28.74 111.551 -177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -135.6 160.78 37.44 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.926 -0.768 . . . . 30.27 108.926 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.66 151.62 31.54 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.036 0.446 . . . . 28.69 111.483 -175.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -134.62 130.89 53.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.632 -0.713 . . . . 29.13 111.128 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.6 118.83 30.35 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.567 -0.901 . . . . 29.7 108.567 175.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -76.81 -20.57 56.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 118.215 0.461 . . . . 29.9 111.382 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -78.22 -47.07 18.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.347 -0.388 . . . . 31.42 111.199 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.2 p -92.32 -11.97 33.68 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.296 -0.261 . . . . 33.14 110.296 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 62.93 36.17 12.87 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.588 0.709 . . . . 35.29 109.601 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 7.5 t -110.64 161.85 15.32 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.602 -1.181 . . . . 32.59 110.749 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.9 p -110.05 143.25 40.34 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.182 -1.044 . . . . 32.77 108.182 176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.2 t -141.43 134.1 28.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.124 0.488 . . . . 30.32 110.342 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.08 98.42 7.88 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.898 -0.592 . . . . 31.76 110.42 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -129.33 138.55 51.63 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.595 -0.729 . . . . 28.42 109.419 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -93.42 113.43 60.15 Favored Pre-proline 0 N--CA 1.441 -0.885 0 CA-C-O 121.092 0.472 . . . . 27.82 110.897 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.578 ' HD2' HH11 ' A' ' 105' ' ' ARG . 59.8 Cg_endo -78.16 -10.34 16.44 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.741 2.294 . . . . 26.03 111.536 177.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.578 HH11 ' HD2' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -111.24 108.96 56.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 109.092 -0.707 . . . . 27.8 109.092 178.283 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -52.29 119.36 5.7 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 121.948 1.765 . . . . 29.2 111.862 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.94 -29.21 7.67 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 120.823 -0.703 . . . . 30.61 112.693 -178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.0 p90 39.67 43.19 1.07 Allowed 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.915 0.886 . . . . 30.1 112.908 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--O 1.25 1.125 0 CA-C-O 118.373 -0.822 . . . . 32.01 111.901 178.771 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 112.466 -0.254 . . . . 4.75 112.466 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m 64.94 31.85 11.07 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.096 0.558 . . . . 2.45 111.933 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -78.13 144.62 36.29 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.332 -0.618 . . . . 2.5 109.332 176.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 ttm -131.01 162.57 29.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.804 -1.184 . . . . 2.06 107.804 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -95.41 108.49 20.69 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 120.721 0.296 . . . . 1.9 111.179 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -101.82 131.78 47.95 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.554 -0.906 . . . . 0.83 108.554 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.592 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 7.8 ptpp? -109.5 149.47 29.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.159 0.504 . . . . 2.57 111.136 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.2 tp -125.93 136.71 53.35 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.343 -0.844 . . . . 0.33 110.183 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.8 mt -121.69 115.34 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.104 -0.702 . . . . 0.62 109.104 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.571 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -90.93 117.36 29.46 Favored 'General case' 0 CA--C 1.508 -0.673 0 N-CA-C 108.907 -0.775 . . . . 0.25 108.907 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -118.35 84.54 2.2 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-O 121.623 0.725 . . . . 1.96 109.332 176.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.7 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -140.37 153.8 23.71 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 114.514 -1.221 . . . . 0.91 110.544 175.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' H ' ' HG3' ' A' ' 13' ' ' LYS . 15.2 mttp -49.69 -40.17 39.28 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 123.831 0.852 . . . . 3.26 111.86 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -99.94 2.42 43.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.257 -0.429 . . . . 1.93 111.611 -175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.18 99.11 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 1.8 110.66 -176.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.7 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 23.0 mtpp -128.79 109.25 11.13 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.838 -0.619 . . . . 2.49 109.374 177.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.45 -169.01 41.0 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 110.611 -0.996 . . . . 0.39 110.611 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -137.99 165.69 25.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.769 0.785 . . . . 1.69 111.789 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.6 t -156.03 175.22 14.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.864 -1.062 . . . . 0.58 108.969 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 31.3 p -139.72 159.57 41.86 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.798 0.295 . . . . 0.38 111.798 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 33' ' ' PHE . 4.6 t -152.01 156.5 40.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 0.38 110.181 176.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -106.8 118.77 37.54 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.777 -0.453 . . . . 2.26 109.777 178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.33 158.66 43.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.334 -0.617 . . . . 0.38 109.334 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -99.77 7.28 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.968 0.413 . . . . 1.09 111.398 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -154.03 155.86 36.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.009 -0.737 . . . . 2.13 109.009 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.42 -40.42 43.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.814 0.34 . . . . 0.59 110.747 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.72 -34.95 79.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.146 -0.479 . . . . 0.48 110.875 -178.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 m -69.25 -29.25 67.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.86 -0.609 . . . . 0.46 110.827 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.82 -36.35 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.801 -0.636 . . . . 0.28 109.38 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -61.53 -50.03 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 114.934 -1.03 . . . . 1.29 110.715 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 59.6 mmtt -61.77 -38.31 87.55 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.762 -0.654 . . . . 2.42 111.705 -175.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.1 t -74.14 -48.6 36.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.848 0.356 . . . . 0.3 111.235 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.479 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -70.09 -23.88 63.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 1.11 112.094 -177.814 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.487 ' HG3' ' CZ2' ' A' ' 46' ' ' TRP . 42.0 mtpt -73.23 -30.87 63.79 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 121.906 -0.496 . . . . 1.09 110.537 178.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 15.4 tm0? -76.16 -32.08 58.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.757 -1.201 . . . . 2.2 107.757 174.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.479 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 43.1 t80 -65.88 -50.14 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.197 -0.91 . . . . 1.24 110.59 177.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 -31.17 71.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.764 -0.653 . . . . 0.22 109.638 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB3' ' O ' ' A' ' 35' ' ' GLN . 5.9 t30 -59.46 -48.1 82.95 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.278 -0.874 . . . . 1.39 110.31 177.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -70.7 -10.53 59.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.078 -0.51 . . . . 1.78 111.543 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -99.69 -3.86 32.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.276 -0.42 . . . . 1.78 110.275 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.36 18.09 78.47 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.027 -0.533 . . . . 0.37 113.317 178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.67 118.41 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 117.127 0.464 . . . . 0.46 110.992 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -136.13 123.54 22.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.52 -0.764 . . . . 1.86 109.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -175.24 -171.06 38.92 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.607 -0.806 . . . . 0.43 111.542 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -59.91 143.93 50.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.953 0.406 . . . . 2.79 111.358 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.487 ' CZ2' ' HG3' ' A' ' 34' ' ' LYS . 3.9 m95 -115.89 112.61 22.17 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.41 110.951 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.8 p -106.45 153.84 21.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.836 -0.62 . . . . 0.63 110.578 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 54' ' ' THR . 29.1 t80 -150.46 151.5 32.82 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.269 0.355 . . . . 1.18 110.624 -178.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -140.34 128.3 22.05 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.149 -1.056 . . . . 2.07 108.149 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -77.24 -9.55 58.87 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.128 0.418 . . . . 2.28 112.128 -173.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.62 -38.06 29.93 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.543 -0.463 . . . . 0.91 111.852 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.3 p -106.92 -8.04 16.81 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.406 0.521 . . . . 1.19 112.406 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? 59.55 36.36 22.81 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 121.186 0.517 . . . . 2.08 109.862 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.592 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.2 m -101.97 129.23 48.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.766 -0.652 . . . . 0.51 112.174 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -110.29 135.48 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.908 -0.775 . . . . 1.19 108.908 172.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 98.7 m -131.29 133.6 45.56 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.86 -0.336 . . . . 0.96 111.193 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -112.11 118.88 58.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 108.619 -0.882 . . . . 0.3 108.619 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.1 m -115.16 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.818 -0.628 . . . . 0.52 111.656 -174.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' HG3' ' A' ' 13' ' ' LYS . 42.9 mt-10 -89.08 154.42 20.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.03 -0.532 . . . . 2.56 110.808 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.67 110.12 3.84 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.143 -1.183 . . . . 2.32 110.143 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 t -86.25 -76.9 0.33 Allowed 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 121.085 -0.246 . . . . 4.41 111.616 -175.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -104.83 74.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.48 -0.867 . . . . 4.49 112.636 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.35 -15.9 1.77 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.366 -0.921 . . . . 6.24 112.853 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.95 150.56 34.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.595 0.236 . . . . 6.29 111.321 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 127.41 108.56 1.51 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.891 -0.671 . . . . 8.41 112.524 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.75 -12.55 66.37 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.066 -0.588 . . . . 10.44 111.933 178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 72.31 2.5 4.35 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.721 0.808 . . . . 12.25 112.456 177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 80.9 -39.81 2.44 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-O 119.705 -0.497 . . . . 11.72 114.321 175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 87.6 mmm 68.96 97.43 0.06 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.169 0.587 . . . . 14.29 109.726 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.8 mt -132.04 -16.45 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-O 120.991 0.424 . . . . 14.51 111.645 -175.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 21.23 9.9 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.412 0.625 . . . . 16.8 109.866 -176.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -98.6 142.49 24.68 Favored Pre-proline 0 N--CA 1.446 -0.662 0 CA-C-N 115.01 -0.995 . . . . 17.64 110.084 -174.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -78.82 -179.73 5.73 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.57 2.18 . . . . 20.1 112.371 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.59 -169.12 0.17 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.454 -0.794 . . . . 20.94 111.116 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.94 130.34 70.37 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.775 -0.648 . . . . 22.94 110.288 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.5 ' CB ' ' HD2' ' A' ' 77' ' ' PRO . 8.3 Cg_exo -67.43 173.63 8.47 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.042 1.828 . . . . 23.54 110.908 177.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.5 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 59.7 Cg_endo -61.97 129.71 28.34 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.587 2.191 . . . . 25.03 111.738 -177.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.18 -15.19 34.97 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 120.671 -0.776 . . . . 26.59 113.965 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -86.07 135.71 33.51 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 117.768 0.784 . . . . 26.61 110.154 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -123.41 132.72 54.04 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 120.789 0.328 . . . . 26.95 111.274 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.3 ttt -105.33 119.01 38.01 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.907 -1.146 . . . . 25.77 107.907 174.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -140.57 157.79 44.95 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.502 -0.479 . . . . 28.23 110.31 -172.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -108.72 149.49 28.93 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.21 -0.293 . . . . 29.77 110.21 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -81.1 -178.42 6.89 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.319 -0.993 . . . . 31.75 108.319 176.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.3 p -78.67 8.1 5.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.095 0.474 . . . . 34.32 111.316 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.43 -2.39 13.24 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.528 -0.545 . . . . 35.43 109.528 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.01 21.67 45.15 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.765 -0.731 . . . . 31.3 113.089 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.6 t -107.45 127.22 63.5 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-O 120.855 0.359 . . . . 31.86 111.04 -178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.605 ' NH1' ' HE1' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -69.79 140.76 53.39 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 28.74 112.046 179.634 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -150.8 159.35 44.59 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.813 -0.81 . . . . 30.27 108.813 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.605 ' HE1' ' NH1' ' A' ' 89' ' ' ARG . 98.0 m-85 -119.24 149.77 41.21 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.225 0.536 . . . . 28.69 110.728 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.9 t -108.98 116.53 52.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.728 -0.669 . . . . 29.13 109.994 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.547 ' HB3' HG22 ' A' ' 98' ' ' THR . 8.3 t70 -83.42 133.67 34.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.109 -1.071 . . . . 29.7 108.109 174.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -89.86 -20.56 23.28 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.83 0.678 . . . . 29.9 112.83 -175.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -82.29 -35.56 27.88 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.185 -0.606 . . . . 31.42 111.794 -174.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 74.5 p -102.07 -12.61 17.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.096 0.474 . . . . 33.14 109.797 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 57.38 75.42 0.37 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 114.8 -1.091 . . . . 35.29 110.518 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.547 HG22 ' HB3' ' A' ' 93' ' ' ASP . 4.8 t -143.17 168.76 19.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.643 -1.162 . . . . 32.59 110.726 -176.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.7 p -114.34 101.58 9.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 107.742 -1.207 . . . . 32.77 107.742 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.8 t -119.34 152.74 36.26 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 121.315 0.579 . . . . 30.32 111.895 -172.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -106.02 98.8 8.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.529 -0.759 . . . . 31.76 109.172 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -114.24 131.84 56.34 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.121 0.486 . . . . 28.42 110.848 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -99.41 130.34 27.19 Favored Pre-proline 0 N--CA 1.427 -1.599 0 CA-C-N 115.514 -0.766 . . . . 27.82 110.469 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.3 -32.55 72.67 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.643 2.229 . . . . 26.03 111.605 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -110.05 107.66 58.85 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 108.932 -0.766 . . . . 27.8 108.932 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.69 119.02 3.8 Favored 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.563 2.176 . . . . 29.2 113.264 -178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.11 -34.27 3.45 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.725 -0.67 . . . . 30.61 112.629 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.4 t80 51.73 43.01 30.26 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 117.049 0.424 . . . . 30.1 110.348 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.094 -0.955 . . . . 32.01 110.284 -178.804 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.958 -0.457 . . . . 4.75 111.958 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -111.7 128.12 55.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.683 0.278 . . . . 2.45 110.688 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -89.81 140.59 29.44 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.874 -0.787 . . . . 2.5 108.874 177.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.4 mmm -100.04 135.46 41.44 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.399 -0.593 . . . . 2.06 109.399 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -91.06 120.16 31.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.781 -0.367 . . . . 1.9 110.774 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -117.35 142.09 47.52 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.732 -0.84 . . . . 0.83 108.732 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.447 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.1 ptmt -112.67 147.77 36.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.847 0.356 . . . . 2.57 110.483 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.526 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -129.64 143.21 50.72 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.099 -0.501 . . . . 0.33 110.081 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.453 HG22 ' OD1' ' A' ' 11' ' ' ASN . 81.2 mt -125.53 124.08 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 108.719 -0.845 . . . . 0.62 108.719 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.649 ' O ' ' HD2' ' A' ' 16' ' ' LYS . 1.3 mm? -94.3 93.24 7.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.209 -0.663 . . . . 0.25 109.209 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.608 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -88.47 86.75 7.09 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.432 -0.951 . . . . 1.96 108.432 178.244 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.604 ' H ' ' HD2' ' A' ' 16' ' ' LYS . . . -153.15 135.57 4.93 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.297 -1.121 . . . . 0.91 110.297 177.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -57.88 -19.93 33.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.093 0.447 . . . . 3.26 111.541 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -78.39 -30.63 47.93 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.319 -0.4 . . . . 1.93 110.805 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 99.11 1.34 Allowed 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.163 -0.31 . . . . 1.8 110.163 -178.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.649 ' HD2' ' O ' ' A' ' 10' ' ' LEU . 9.0 mmmm -102.88 120.23 40.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.112 0.482 . . . . 2.49 109.94 175.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.76 171.79 42.39 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.306 -0.861 . . . . 0.39 111.116 -178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -131.83 161.25 33.39 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.219 -0.289 . . . . 1.69 110.219 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.6 t -159.97 173.84 15.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.241 -0.436 . . . . 0.58 110.354 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.6 p -133.84 161.97 33.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.324 -0.398 . . . . 0.38 110.125 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 t -155.34 156.49 35.55 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 110.15 -0.315 . . . . 0.38 110.15 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.71 118.79 33.94 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.867 -0.419 . . . . 2.26 109.867 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.8 153.63 50.76 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.18 -0.674 . . . . 0.38 109.18 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.22 8.54 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.997 0.427 . . . . 1.09 111.262 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.482 ' HB3' ' OG1' ' A' ' 28' ' ' THR . 19.5 t70 -157.1 158.66 36.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.321 -0.622 . . . . 2.13 109.321 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.33 -50.24 19.59 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.464 -0.335 . . . . 0.59 111.389 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.24 -26.82 67.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.212 0.53 . . . . 0.48 110.025 -178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' A' ' 25' ' ' ASP . 16.4 m -72.3 -28.47 63.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.297 -0.865 . . . . 0.46 110.693 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.69 -37.14 65.29 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.272 -0.64 . . . . 0.28 109.272 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 8.4 tt0 -59.26 -59.16 5.9 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.072 -0.967 . . . . 1.29 109.57 177.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.81 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 10.8 mmpt? -49.0 -41.78 35.66 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.714 -0.676 . . . . 2.42 112.515 -178.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 28' ' ' THR . 91.6 t -73.11 -52.0 23.89 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.818 0.342 . . . . 0.3 111.227 -178.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.481 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.1 m-85 -66.78 -24.08 66.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.866 0.321 . . . . 1.11 111.866 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.618 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 31.4 mtpt -69.87 -39.68 76.18 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.865 -0.42 . . . . 1.09 109.865 178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -66.24 -31.51 72.38 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.814 -0.81 . . . . 2.2 108.814 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.481 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 26.6 t80 -70.05 -50.56 40.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.89 -1.05 . . . . 1.24 110.569 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.37 -37.08 82.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.95 -0.568 . . . . 0.22 110.431 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -62.34 -38.03 87.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.465 -0.789 . . . . 1.39 110.222 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -68.04 -26.6 65.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 1.78 111.151 179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -89.28 -17.45 28.94 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.228 -0.442 . . . . 1.78 110.664 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.93 10.18 61.62 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.841 -0.695 . . . . 0.37 112.603 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -95.27 116.42 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 CA-C-O 120.867 0.365 . . . . 0.46 110.576 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -138.52 136.2 35.86 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.957 -0.757 . . . . 1.86 108.957 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.16 -170.09 41.63 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.95 -0.86 . . . . 0.43 110.95 -176.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.592 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 11.2 pt-20 -54.94 141.18 34.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.735 0.302 . . . . 2.79 110.681 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.618 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.7 m95 -112.56 122.31 47.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.936 0.398 . . . . 0.41 109.987 178.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.1 p -123.9 158.07 32.79 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.616 -0.72 . . . . 0.63 110.041 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -149.98 150.55 31.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 1.18 110.657 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -130.6 135.71 48.15 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.847 -0.797 . . . . 2.07 108.847 177.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -77.3 -29.66 53.8 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.763 0.316 . . . . 2.28 111.41 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.97 -33.58 63.91 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.103 0.409 . . . . 0.91 112.103 -177.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.6 p -104.37 -11.61 17.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.312 0.856 . . . . 1.19 113.312 -177.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.92 31.24 20.31 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-O 121.424 0.631 . . . . 2.08 109.848 -177.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.447 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 7.9 m -99.48 122.65 42.87 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.563 -0.744 . . . . 0.51 111.987 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 42.4 m-85 -93.2 134.0 35.83 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.588 -1.264 . . . . 1.19 107.588 171.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 90.0 m -132.19 131.81 42.54 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.365 -0.534 . . . . 0.96 111.655 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -115.54 123.75 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 108.217 -1.031 . . . . 0.3 108.217 176.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.592 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 5.5 m -118.13 126.66 52.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.654 0.613 . . . . 0.52 112.654 -173.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -76.45 98.21 4.52 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 107.117 -1.438 . . . . 2.56 107.117 173.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.26 112.05 3.91 Favored Glycine 0 C--N 1.337 0.603 0 C-N-CA 120.328 -0.939 . . . . 2.32 113.211 -176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 m -65.67 98.3 0.37 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 4.41 110.294 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -113.0 64.3 0.28 Allowed Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.535 -0.757 . . . . 4.49 111.607 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -85.92 29.67 4.54 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.959 -0.639 . . . . 6.24 112.151 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 61.89 20.08 11.2 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.112 0.565 . . . . 6.29 112.121 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -162.85 158.71 31.02 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.723 -0.751 . . . . 8.41 112.589 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.97 35.39 4.01 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.491 -0.385 . . . . 10.44 112.231 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -59.08 102.65 0.13 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 12.25 111.553 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.13 148.82 4.86 Favored Glycine 0 N--CA 1.451 -0.36 0 N-CA-C 111.29 -0.724 . . . . 11.72 111.29 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 66.0 mtt 54.0 47.67 22.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 117.275 0.537 . . . . 14.29 110.96 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.2 mt -99.9 71.19 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.259 -0.645 . . . . 14.51 109.259 -176.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -129.87 16.48 5.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.204 -0.907 . . . . 16.8 110.314 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -102.79 133.43 20.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.698 -0.683 . . . . 17.64 109.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.43 169.32 21.99 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.748 2.299 . . . . 20.1 112.578 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -172.76 169.98 4.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.159 -0.928 . . . . 20.94 109.497 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -76.92 149.11 79.86 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.944 -0.391 . . . . 22.94 109.944 179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.601 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 15.4 Cg_exo -72.53 149.07 49.08 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.073 1.849 . . . . 23.54 111.026 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_exo -47.12 124.81 9.42 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.881 2.387 . . . . 25.03 112.298 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.19 -30.56 9.63 Favored Glycine 0 CA--C 1.522 0.493 0 CA-C-N 115.703 -0.681 . . . . 26.59 112.631 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.601 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -93.52 144.72 25.1 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 109.451 -0.574 . . . . 26.61 109.451 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -142.61 158.65 43.44 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 120.498 -0.481 . . . . 26.95 110.015 175.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -122.43 132.49 54.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.703 -0.68 . . . . 25.77 109.572 -178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -147.46 156.18 42.62 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.809 -0.441 . . . . 28.23 109.809 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -102.91 146.25 28.6 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 109.962 -0.385 . . . . 29.77 109.962 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.7 p -77.69 179.42 6.62 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 108.95 -0.759 . . . . 31.75 108.95 175.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.6 p -76.05 11.04 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.236 0.541 . . . . 34.32 111.611 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -121.54 -2.52 9.42 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.401 -0.818 . . . . 35.43 109.139 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.69 21.87 52.1 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-N 115.345 -0.843 . . . . 31.3 113.236 -179.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 68.8 t -96.79 142.97 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 31.86 110.999 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -86.29 124.36 32.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 28.74 111.994 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -134.1 154.48 51.16 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.807 -0.357 . . . . 30.27 110.102 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -108.07 141.7 39.36 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.079 0.466 . . . . 28.69 111.012 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.8 t -115.47 120.64 65.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.837 -0.62 . . . . 29.13 110.983 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -90.78 115.2 27.67 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 107.962 -1.125 . . . . 29.7 107.962 175.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -79.83 -5.58 55.71 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.877 0.695 . . . . 29.9 112.877 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.604 ' ND2' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -92.32 -34.59 14.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.557 -0.457 . . . . 31.42 111.296 -178.265 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.604 HG23 ' ND2' ' A' ' 95' ' ' ASN . 39.9 p -108.18 -7.97 15.88 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 122.1 -0.375 . . . . 33.14 110.922 178.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 97' ' ' ARG . 17.0 mtp180 62.61 30.08 16.97 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.554 1.168 . . . . 35.29 111.187 177.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.3 p -104.35 156.11 18.2 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 113.406 -1.724 . . . . 32.59 110.776 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 p -112.57 104.21 12.3 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.235 -0.283 . . . . 32.77 110.235 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.4 t -96.02 146.86 24.28 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.024 0.44 . . . . 30.32 110.193 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -115.45 107.12 14.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.808 -0.441 . . . . 31.76 109.808 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -133.0 99.94 4.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.827 0.346 . . . . 28.42 110.577 179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -116.81 135.2 22.93 Favored Pre-proline 0 C--N 1.319 -0.753 0 N-CA-C 108.825 -0.806 . . . . 27.82 108.825 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.473 ' HG2' ' HD2' ' A' ' 105' ' ' ARG . 20.2 Cg_endo -60.88 -19.1 60.63 Favored 'Trans proline' 0 CA--C 1.536 0.605 0 C-N-CA 122.936 2.424 . . . . 26.03 113.645 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.574 ' HD2' ' N ' ' A' ' 105' ' ' ARG . 2.4 mpt_? -107.18 112.87 62.78 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.402 -0.592 . . . . 27.8 109.402 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.09 129.25 16.93 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 121.575 1.517 . . . . 29.2 112.049 -176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 84.16 -22.76 7.86 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-O 119.205 -0.775 . . . . 30.61 113.333 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.0 p90 39.46 41.13 0.67 Allowed 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.468 0.707 . . . . 30.1 112.065 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.202 -0.904 . . . . 32.01 108.922 -179.823 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.707 -0.557 . . . . 4.75 111.707 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -93.28 -65.23 1.01 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.578 0.228 . . . . 2.45 111.2 -178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.1 144.67 49.13 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.451 -0.341 . . . . 2.5 111.057 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.3 mtp -114.93 137.89 51.46 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.578 -0.527 . . . . 2.06 109.578 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.406 ' OE1' ' HE2' ' A' ' 7' ' ' LYS . 31.1 tt0 -74.95 115.41 14.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.376 -0.374 . . . . 1.9 111.662 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -111.49 143.3 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.572 -0.899 . . . . 0.83 108.572 176.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HB2' HG23 ' A' ' 54' ' ' THR . 29.3 mttt -116.52 162.91 16.87 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.392 -0.523 . . . . 2.57 111.718 -177.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.447 HD22 ' CG ' ' A' ' 33' ' ' PHE . 23.5 tp -145.91 125.6 13.38 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.185 -0.916 . . . . 0.33 111.237 178.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mp -113.24 119.69 61.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 108.85 -0.796 . . . . 0.62 108.85 175.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.45 109.67 21.06 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.583 -0.525 . . . . 0.25 109.583 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -103.58 88.42 3.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.0 -0.545 . . . . 1.96 109.78 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.614 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -136.6 126.84 3.9 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.844 -0.902 . . . . 0.91 110.844 178.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -48.67 -30.26 5.29 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.629 0.974 . . . . 3.26 113.629 -176.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 p -95.05 -42.06 8.81 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.78 -0.368 . . . . 1.93 111.473 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -129.99 109.6 11.0 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.981 -0.377 . . . . 1.8 109.981 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.614 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -113.8 155.89 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.352 -0.981 . . . . 2.49 108.352 176.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.29 -173.03 45.89 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.596 -0.812 . . . . 0.39 111.848 -178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -164.94 150.45 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.8 0.333 . . . . 1.69 110.541 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 t -163.41 178.78 7.81 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.077 -0.51 . . . . 0.58 110.921 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.4 p -138.35 159.46 42.01 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.4 -0.364 . . . . 0.38 111.164 -178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 t -149.54 156.78 42.52 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.901 -0.407 . . . . 0.38 109.901 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -105.42 109.17 21.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.111 -0.495 . . . . 2.26 110.137 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -137.66 160.25 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.708 -0.479 . . . . 0.38 109.708 -179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 m -109.12 7.85 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.845 -0.342 . . . . 1.09 111.887 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -143.78 144.45 31.81 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.203 -0.199 . . . . 2.13 110.801 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.63 -44.37 90.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.942 0.401 . . . . 0.59 110.287 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 31' ' ' LYS . . . -61.61 -40.5 95.06 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.868 -0.605 . . . . 0.48 110.831 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.5 m -65.78 -34.16 77.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.507 -0.315 . . . . 0.46 111.154 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.03 -37.31 78.53 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 109.059 -0.719 . . . . 0.28 109.059 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 11.9 tt0 -65.93 -57.27 8.23 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.795 -1.093 . . . . 1.29 109.669 177.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 27' ' ' ALA . 27.9 mtpp -50.35 -46.69 55.92 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.251 0.834 . . . . 2.42 113.251 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.9 t -72.2 -46.65 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.3 110.947 -177.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.447 ' CG ' HD22 ' A' ' 8' ' ' LEU . 2.2 m-85 -69.86 -24.22 63.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.413 -0.358 . . . . 1.11 111.802 -179.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 33.4 mtpt -67.31 -46.27 74.02 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 121.021 -0.272 . . . . 1.09 110.439 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -33.18 75.31 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.228 -1.027 . . . . 2.2 108.228 177.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -65.0 -53.99 37.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.104 -0.953 . . . . 1.24 110.62 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.32 87.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.703 -0.681 . . . . 0.22 110.918 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -62.65 -34.38 76.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 1.39 110.231 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -66.88 -38.83 87.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.316 -0.402 . . . . 1.78 110.628 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -76.3 -12.54 60.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.023 0.44 . . . . 1.78 110.471 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.18 10.64 57.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.05 -0.595 . . . . 0.37 112.716 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.15 100.55 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-O 121.762 0.791 . . . . 0.46 110.857 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -129.18 101.49 6.04 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.781 -1.099 . . . . 1.86 108.875 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.84 -171.27 14.5 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.61 -0.805 . . . . 0.43 111.417 -177.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.72 146.72 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.877 0.37 . . . . 2.79 110.884 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.9 m95 -110.3 131.29 55.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.909 -0.587 . . . . 0.41 111.573 -176.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.05 138.85 54.57 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.656 -0.868 . . . . 0.63 108.656 176.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.421 ' HE2' ' HA ' ' A' ' 53' ' ' LYS . 36.0 t80 -136.0 153.49 51.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.103 0.478 . . . . 1.18 111.343 -176.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -132.24 130.04 40.42 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.879 -1.156 . . . . 2.07 107.879 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.44 -13.47 46.1 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.289 -0.564 . . . . 2.28 111.011 -173.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.55 -33.1 62.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.398 -0.365 . . . . 0.91 111.348 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.1 p -116.47 -11.14 11.17 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.82 1.045 . . . . 1.19 113.82 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HA ' ' HE2' ' A' ' 48' ' ' TYR . 13.9 mptt 66.85 23.09 10.07 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 121.319 0.581 . . . . 2.08 111.221 -177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.439 HG23 ' HB2' ' A' ' 7' ' ' LYS . 3.4 m -88.6 122.63 32.26 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.715 -0.675 . . . . 0.51 111.251 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 45.2 m-85 -102.53 137.31 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.745 -0.835 . . . . 1.19 108.745 174.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.9 m -128.26 127.63 43.18 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.478 -0.328 . . . . 0.96 110.599 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 p -109.13 117.66 54.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.81 -0.811 . . . . 0.3 108.81 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.3 m -105.44 124.42 49.52 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.52 111.562 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.45 120.21 22.85 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 108.029 -1.1 . . . . 2.56 108.029 177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.08 108.75 2.09 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 119.831 -1.176 . . . . 2.32 112.439 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.2 t -90.12 -10.14 45.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.723 0.297 . . . . 4.41 110.432 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 131.45 -174.19 20.15 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.8 -0.714 . . . . 4.49 111.848 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.33 -39.99 3.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.819 -0.705 . . . . 6.24 112.086 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.61 -47.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.236 0.541 . . . . 6.29 110.231 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.0 -161.67 16.43 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 115.611 -0.722 . . . . 8.41 112.511 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.59 32.17 5.43 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.286 -0.483 . . . . 10.44 113.32 -177.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -80.4 103.34 10.19 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.124 -0.695 . . . . 12.25 109.124 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.75 143.97 9.84 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.046 -1.073 . . . . 11.72 113.22 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.591 ' HG3' HG13 ' A' ' 70' ' ' ILE . 25.8 ptm -127.66 7.56 6.28 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.196 0.522 . . . . 14.29 110.273 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.591 HG13 ' HG3' ' A' ' 69' ' ' MET . 78.3 mt -141.26 101.85 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.252 -0.886 . . . . 14.51 109.328 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -114.39 8.42 16.61 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.349 0.595 . . . . 16.8 110.754 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -68.76 136.52 90.15 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.034 -0.985 . . . . 17.64 110.785 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -89.21 161.76 5.7 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 123.074 2.516 . . . . 20.1 111.688 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.66 176.85 5.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.867 0.365 . . . . 20.94 110.899 178.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.93 136.52 92.11 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.081 -0.508 . . . . 22.94 110.532 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -70.64 147.44 57.2 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 121.856 1.704 . . . . 23.54 110.789 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -48.45 127.0 15.03 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.806 2.337 . . . . 25.03 111.849 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 100.07 -26.62 23.79 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 120.329 -0.938 . . . . 26.59 113.198 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -89.46 137.53 32.25 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 109.472 -0.566 . . . . 26.61 109.472 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -123.3 143.42 50.09 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.216 0.531 . . . . 26.95 110.99 178.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 55.1 ttp -113.49 112.47 23.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.124 -0.944 . . . . 25.77 108.8 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -136.99 155.31 49.88 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.243 -0.583 . . . . 28.23 110.141 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -122.17 152.77 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.09 -0.337 . . . . 29.77 110.09 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.7 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.371 -0.974 . . . . 31.75 108.371 174.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 m -79.79 15.99 1.25 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.071 0.462 . . . . 34.32 111.95 -177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -122.58 0.01 9.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.185 -0.461 . . . . 35.43 110.543 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 91.74 11.92 59.92 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.512 -0.851 . . . . 31.3 112.661 -178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.5 t -89.14 126.51 42.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.687 -0.486 . . . . 31.86 109.687 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -94.74 122.24 37.14 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.032 -0.531 . . . . 28.74 111.221 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -126.67 151.32 48.25 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.609 -0.515 . . . . 30.27 109.609 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -118.07 145.8 44.57 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.823 -0.436 . . . . 28.69 109.823 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.0 t -113.65 112.22 39.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.919 -0.582 . . . . 29.13 111.251 -177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -80.46 90.86 5.67 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.641 -0.874 . . . . 29.7 108.641 175.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -75.32 -4.09 37.2 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 121.801 -0.562 . . . . 29.9 110.999 -177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -73.69 -48.82 29.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.027 0.442 . . . . 31.42 110.48 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 p -104.37 -7.33 20.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.984 -0.553 . . . . 33.14 111.012 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 65.42 77.45 0.3 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.937 0.875 . . . . 35.29 111.348 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.8 t -158.53 171.65 19.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.691 -1.14 . . . . 32.59 109.543 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 22.2 p -123.06 143.43 49.96 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.88 -0.415 . . . . 32.77 109.88 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.4 t -147.29 156.7 43.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.927 -0.309 . . . . 30.32 110.429 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -114.59 96.76 5.91 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.34 -0.615 . . . . 31.76 109.34 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -144.15 122.57 12.39 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.45 -0.341 . . . . 28.42 110.804 179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -108.53 129.3 24.18 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.016 -0.735 . . . . 27.82 109.016 177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -77.22 -4.87 15.25 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 122.708 2.272 . . . . 26.03 113.676 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -108.79 107.47 60.08 Favored Pre-proline 0 N--CA 1.466 0.34 0 O-C-N 121.94 -0.475 . . . . 27.8 111.103 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -58.83 120.41 8.26 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 122.24 1.96 . . . . 29.2 111.753 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 95.79 -36.39 3.86 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 119.089 -0.839 . . . . 30.61 113.507 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.8 p90 37.21 38.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 113.013 0.746 . . . . 30.1 113.013 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.297 -0.859 . . . . 32.01 109.52 -179.524 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.89 -0.484 . . . . 4.75 111.89 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -75.55 176.14 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.6 0.238 . . . . 2.45 110.396 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -102.31 170.45 8.07 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.824 -0.436 . . . . 2.5 109.824 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.6 tpt -122.63 149.91 43.37 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.385 -1.339 . . . . 2.06 107.385 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -86.48 102.49 14.13 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.725 -0.39 . . . . 1.9 110.35 -177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.438 ' CD2' ' HB3' ' A' ' 23' ' ' ALA . 57.0 m-85 -90.52 141.75 28.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.316 -0.624 . . . . 0.83 109.316 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.609 ' HD3' ' N ' ' A' ' 8' ' ' LEU . 3.9 tmtm? -120.06 146.86 45.5 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.326 -0.852 . . . . 2.57 109.69 -173.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.609 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 12.6 tp -141.69 142.64 33.34 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.835 0.35 . . . . 0.33 110.754 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -125.27 124.98 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 108.763 -0.828 . . . . 0.62 108.763 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -92.12 99.27 12.11 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 120.169 -0.612 . . . . 0.25 109.449 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 3.6 m-80 -87.25 86.76 7.3 Favored 'General case' 0 N--CA 1.444 -0.751 0 N-CA-C 108.069 -1.086 . . . . 1.96 108.069 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.63 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -130.77 122.15 3.46 Favored Glycine 0 C--O 1.221 -0.671 0 CA-C-N 115.609 -0.723 . . . . 0.91 111.311 -179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -45.54 -40.83 9.1 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.76 1.022 . . . . 3.26 113.76 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.3 m -83.72 -42.29 16.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.72 -0.392 . . . . 1.93 111.56 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.6 tp -133.74 115.37 14.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.627 0.251 . . . . 1.8 110.741 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -115.73 148.28 39.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.235 -0.654 . . . . 2.49 109.235 178.113 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.9 -172.66 44.92 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.823 -0.703 . . . . 0.39 111.518 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -158.66 154.53 26.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.939 0.37 . . . . 1.69 111.252 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -152.9 -178.71 7.08 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.765 -0.652 . . . . 0.58 110.388 -177.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.3 p -140.79 164.2 30.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.127 -0.488 . . . . 0.38 110.325 -178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -156.5 156.56 33.92 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 120.715 0.293 . . . . 0.38 110.515 176.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -94.87 99.83 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 2.26 109.935 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB3' ' CD2' ' A' ' 6' ' ' TYR . . . -124.95 158.12 34.39 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.861 -0.422 . . . . 0.38 109.861 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.9 m -109.22 7.12 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.397 0.517 . . . . 1.09 112.397 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -159.03 160.35 35.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.835 -0.346 . . . . 2.13 111.296 -177.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.43 -45.72 61.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.59 111.51 -179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.94 89.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.48 110.633 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 m -65.41 -34.37 78.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.728 -0.669 . . . . 0.46 110.65 178.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.5 75.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.094 0.474 . . . . 0.28 109.89 -178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -62.44 -58.58 7.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.355 -0.839 . . . . 1.29 109.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -48.64 -47.21 40.52 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.602 -0.726 . . . . 2.42 112.785 -178.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 95.8 t -69.37 -48.62 66.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 120.732 0.301 . . . . 0.3 111.603 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.587 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 4.4 m-85 -70.67 -20.71 62.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.413 -0.358 . . . . 1.11 111.892 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 30.8 mtpt -70.92 -42.61 69.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.947 -0.39 . . . . 1.09 109.947 178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -43.3 95.78 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 107.837 -1.171 . . . . 2.2 107.837 175.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.587 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 27.1 t80 -57.14 -50.74 71.87 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.339 -1.755 . . . . 1.24 111.414 178.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.82 -34.14 71.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.288 -0.415 . . . . 0.22 110.794 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.83 -40.26 94.67 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.875 -0.602 . . . . 1.39 110.404 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.92 -26.66 66.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 1.78 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -91.51 -4.5 55.4 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.065 -0.516 . . . . 1.78 110.504 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.57 14.5 78.04 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.432 -0.804 . . . . 0.37 113.193 177.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.0 t -91.02 123.53 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 117.297 0.549 . . . . 0.46 110.634 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -139.64 132.96 29.97 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.532 -0.914 . . . . 1.86 108.532 178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.77 -171.55 43.74 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.36 -0.924 . . . . 0.43 111.595 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.71 150.97 42.44 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.66 0.267 . . . . 2.79 110.468 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 11.7 m95 -114.44 138.72 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.904 -0.589 . . . . 0.41 111.419 -177.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.31 163.95 28.84 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.297 -0.865 . . . . 0.63 110.233 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -154.29 148.0 25.36 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 110.131 -0.322 . . . . 1.18 110.131 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.69 153.31 37.09 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 107.826 -1.175 . . . . 2.07 107.826 178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -90.34 -17.43 27.33 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.714 0.635 . . . . 2.28 112.714 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.55 -49.65 7.4 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.744 -0.597 . . . . 0.91 112.153 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -104.8 -5.25 21.38 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 112.633 0.605 . . . . 1.19 112.633 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 60.95 36.4 18.74 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 121.496 0.665 . . . . 2.08 109.927 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.459 ' HA ' ' HB3' ' A' ' 7' ' ' LYS . 46.3 m -83.81 108.83 17.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.19 -0.913 . . . . 0.51 111.199 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.5 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 24.2 m-85 -83.62 126.97 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.25 -0.648 . . . . 1.19 109.25 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.76 121.68 41.43 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.35 -0.386 . . . . 0.96 111.576 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 p -108.55 110.52 32.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.854 -1.165 . . . . 0.3 107.854 175.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.416 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 9.9 m -103.86 113.64 27.31 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.617 -0.72 . . . . 0.52 112.103 -173.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.89 104.83 4.17 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.761 -1.2 . . . . 2.56 107.761 176.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.07 107.43 0.64 Allowed Glycine 0 N--CA 1.441 -1.0 0 C-N-CA 119.033 -1.556 . . . . 2.32 112.784 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -127.51 -53.16 1.36 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.673 -1.232 . . . . 4.41 107.673 175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.29 -174.46 37.89 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.39 -0.823 . . . . 4.49 113.579 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.52 23.49 4.51 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.003 -0.618 . . . . 6.24 111.817 178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.63 142.44 27.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.71 0.29 . . . . 6.29 110.508 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.19 34.57 32.62 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.768 -0.73 . . . . 8.41 112.467 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -82.11 -23.66 56.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.829 -0.701 . . . . 10.44 111.865 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 61.97 86.39 0.11 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.408 0.623 . . . . 12.25 110.428 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.06 165.83 16.82 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.467 -0.873 . . . . 11.72 112.851 -177.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.449 ' HB3' ' OE1' ' A' ' 72' ' ' GLU . 52.5 mtt -101.59 114.39 28.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.309 -0.626 . . . . 14.29 109.309 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.1 mt -121.4 -34.76 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 121.097 0.475 . . . . 14.51 111.013 -177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -79.98 24.03 0.43 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.849 -0.614 . . . . 16.8 111.154 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' OE1' ' HB3' ' A' ' 69' ' ' MET . 15.7 mm-40 -56.05 139.92 70.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.922 -0.581 . . . . 17.64 111.952 -178.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.64 172.52 16.06 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.656 2.237 . . . . 20.1 112.22 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.36 158.25 6.51 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.93 -0.577 . . . . 20.94 111.081 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.23 150.74 45.51 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.637 -0.71 . . . . 22.94 109.21 177.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.4 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 45.5 Cg_exo -57.61 144.0 93.57 Favored 'Trans proline' 0 C--N 1.357 0.988 0 C-N-CA 120.815 1.01 . . . . 23.54 110.617 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -48.14 124.37 10.2 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.989 2.459 . . . . 25.03 112.738 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 94.27 -24.56 26.59 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 120.776 -0.726 . . . . 26.59 113.654 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.4 ' CD1' ' HB2' ' A' ' 76' ' ' PRO . 74.4 m95 -86.96 128.83 35.07 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 117.505 0.653 . . . . 26.61 110.618 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.64 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 18.7 mm-40 -109.3 139.64 43.99 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.844 0.354 . . . . 26.95 110.247 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.463 ' O ' ' HG3' ' A' ' 82' ' ' LYS . 12.0 tmm? -114.32 130.61 56.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.374 -0.973 . . . . 25.77 108.374 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 81' ' ' MET . 23.6 mttp -148.97 156.49 42.35 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 110.342 -0.244 . . . . 28.23 110.342 -176.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -112.45 157.76 20.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.639 0.257 . . . . 29.77 110.521 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.6 p -90.97 168.63 11.52 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.843 -1.169 . . . . 31.75 107.843 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 p -76.33 13.97 0.84 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.399 0.518 . . . . 34.32 112.399 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -120.78 -2.91 9.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.185 0.516 . . . . 35.43 109.629 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.55 7.29 59.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.631 -0.795 . . . . 31.3 113.199 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 57.6 t -87.44 145.88 6.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 N-CA-C 109.548 -0.538 . . . . 31.86 109.548 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -104.36 136.45 43.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.48 0.181 . . . . 28.74 111.196 -175.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -143.78 158.91 43.35 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.236 -0.653 . . . . 30.27 109.236 177.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -114.57 153.71 29.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.314 0.578 . . . . 28.69 111.524 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.64 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 58.7 t -126.57 121.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.504 -0.771 . . . . 29.13 110.612 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.94 104.96 16.06 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.526 -0.916 . . . . 29.7 108.526 177.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -71.17 1.21 6.25 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.999 -0.438 . . . . 29.9 112.054 -175.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -90.3 -50.06 6.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.687 -0.233 . . . . 31.42 110.889 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.3 p -100.82 -8.01 23.05 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.126 -0.23 . . . . 33.14 110.962 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 67.94 31.79 5.46 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.802 0.81 . . . . 35.29 110.376 177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 13.0 p -99.31 156.43 17.0 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.463 -1.244 . . . . 32.59 110.941 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 p -107.28 104.63 14.28 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.774 -0.454 . . . . 32.77 109.774 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 7.2 t -109.75 157.75 18.83 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.499 0.666 . . . . 30.32 111.185 -177.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -112.65 99.9 8.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.639 -0.71 . . . . 31.76 110.028 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -136.39 100.88 4.5 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.293 -0.632 . . . . 28.42 109.293 178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.421 ' OD1' ' HB2' ' A' ' 105' ' ' ARG . 19.8 t70 -98.07 146.57 31.72 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 116.088 -0.506 . . . . 27.82 110.533 -177.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.485 ' O ' ' HD3' ' A' ' 106' ' ' PRO . 25.4 Cg_exo -53.55 -25.67 33.71 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.659 2.24 . . . . 26.03 112.097 177.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.421 ' HB2' ' OD1' ' A' ' 103' ' ' ASP . 10.1 mpt_? -90.2 107.79 22.03 Favored Pre-proline 0 CA--C 1.535 0.378 0 N-CA-C 109.672 -0.492 . . . . 27.8 109.672 176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 104' ' ' PRO . 6.0 Cg_exo -78.08 129.9 9.97 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.363 1.375 . . . . 29.2 112.197 176.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 70.88 15.52 73.97 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 115.688 1.035 . . . . 30.61 115.688 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.408 ' HD1' ' O ' ' A' ' 105' ' ' ARG . 49.3 p90 -60.26 -31.69 70.45 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.063 1.431 . . . . 30.1 110.411 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.248 1.017 0 O-C-N 124.042 0.839 . . . . 32.01 111.092 178.239 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.104 -0.398 . . . . 4.75 112.104 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -101.83 -178.81 3.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.837 0.351 . . . . 2.45 110.122 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -111.85 163.85 13.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.82 -0.437 . . . . 2.5 109.82 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.2 mtp -108.81 135.84 49.37 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.749 -0.834 . . . . 2.06 108.749 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -92.16 116.1 28.65 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.972 -0.381 . . . . 1.9 109.972 179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -103.71 159.42 15.63 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.569 -0.53 . . . . 0.83 109.569 178.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -138.11 135.02 35.35 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.186 -0.461 . . . . 2.57 110.127 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.1 tp -120.02 142.14 49.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.463 -0.335 . . . . 0.33 110.732 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 40.0 mt -120.5 120.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.387 0 N-CA-C 108.704 -0.851 . . . . 0.62 108.704 175.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 HD21 ' HE1' ' A' ' 36' ' ' TYR . 1.2 mm? -94.02 100.78 12.84 Favored 'General case' 0 CA--C 1.508 -0.647 0 C-N-CA 120.417 -0.513 . . . . 0.25 109.778 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.12 87.14 4.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.483 -0.932 . . . . 1.96 108.483 178.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.688 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -149.03 129.78 3.17 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.231 -1.148 . . . . 0.91 110.231 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -50.76 -32.93 21.25 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.362 0.505 . . . . 3.26 112.362 -175.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -83.95 -19.63 34.33 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.142 0.423 . . . . 1.93 112.142 -177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -156.99 104.68 2.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.419 -0.586 . . . . 1.8 109.419 -177.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.688 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 9.7 mtmt -119.39 124.65 47.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.893 -0.594 . . . . 2.49 110.627 -178.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.23 -171.49 44.3 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.734 -0.667 . . . . 0.39 111.793 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -136.05 163.62 29.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.255 -0.276 . . . . 1.69 110.255 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.404 HG21 ' CE1' ' A' ' 36' ' ' TYR . 14.6 t -161.42 164.0 30.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.425 -0.352 . . . . 0.58 110.376 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.6 p -134.69 161.34 35.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.381 -0.372 . . . . 0.38 110.455 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 t -158.18 143.81 16.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.849 -0.426 . . . . 0.38 109.849 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -94.88 121.68 36.73 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.384 -0.599 . . . . 2.26 109.384 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.35 159.2 42.79 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.832 -0.433 . . . . 0.38 109.832 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.1 m -104.73 2.84 10.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.265 0.469 . . . . 1.09 112.265 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 4.7 m-20 -132.82 144.25 50.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.888 -0.412 . . . . 2.13 109.888 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.31 -36.95 71.79 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.029 0.443 . . . . 0.59 110.25 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.442 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -72.69 -37.3 67.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.629 -0.714 . . . . 0.48 111.387 -179.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.441 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 16.6 m -66.24 -33.89 76.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.517 -0.311 . . . . 0.46 111.452 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.23 75.21 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 121.341 0.591 . . . . 0.28 109.639 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 18.4 tt0 -62.61 -57.1 12.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.648 -1.16 . . . . 1.29 109.95 178.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 33.4 mmtp -56.92 -43.96 81.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.407 -0.815 . . . . 2.42 112.707 -178.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.24 -44.36 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.3 110.87 -178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -70.0 -21.5 63.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.198 -0.456 . . . . 1.11 112.024 -179.16 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 22.0 mtpp -76.39 -34.65 58.85 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.45 -0.574 . . . . 1.09 109.45 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -74.11 -30.98 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.85 -0.796 . . . . 2.2 108.85 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.426 ' HE1' HD21 ' A' ' 10' ' ' LEU . 42.2 t80 -64.04 -50.31 68.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.619 -0.719 . . . . 1.24 109.543 175.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.01 -31.03 72.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.379 -0.828 . . . . 0.22 110.042 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -59.71 -40.73 88.96 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.463 -0.789 . . . . 1.39 110.332 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -67.31 -21.31 65.68 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.086 -0.506 . . . . 1.78 111.232 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -101.97 2.47 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.561 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.69 23.37 76.78 Favored Glycine 0 CA--C 1.519 0.331 0 CA-C-N 115.96 -0.564 . . . . 0.37 113.089 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -108.89 118.97 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-O 121.104 0.478 . . . . 0.46 110.536 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -150.41 97.88 2.59 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.705 -0.679 . . . . 1.86 109.246 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -130.87 -169.47 12.47 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 121.154 -0.546 . . . . 0.43 111.842 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.49 129.39 35.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.752 0.311 . . . . 2.79 110.197 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.638 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.0 m95 -100.18 115.0 28.82 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.838 -0.619 . . . . 0.41 111.372 -178.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.443 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 21.6 p -116.46 160.18 20.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.767 -0.651 . . . . 0.63 109.942 178.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -144.6 156.81 44.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.92 0.39 . . . . 1.18 111.089 -177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.88 129.22 29.9 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 107.983 -1.117 . . . . 2.07 107.983 179.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -79.61 -23.6 42.55 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.019 0.378 . . . . 2.28 112.019 -172.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.23 -37.42 45.39 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.915 -0.314 . . . . 0.91 111.714 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 p -97.87 -14.14 20.87 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.771 0.656 . . . . 1.19 112.771 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 63.11 13.05 6.49 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 121.55 0.69 . . . . 2.08 110.37 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.6 m -84.9 132.16 34.41 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.326 -0.852 . . . . 0.51 112.136 -177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -96.5 130.81 43.58 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.702 -1.221 . . . . 1.19 107.702 173.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.443 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 19.9 m -118.23 111.55 18.94 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 120.519 -0.472 . . . . 0.96 111.023 -176.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 p -101.89 110.76 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 108.921 -0.77 . . . . 0.3 108.921 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -109.8 123.05 48.87 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.953 -0.567 . . . . 0.52 112.316 -173.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -72.02 153.21 41.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.086 -0.709 . . . . 2.56 109.086 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 154.26 132.26 1.63 Allowed Glycine 0 CA--C 1.51 -0.254 0 C-N-CA 120.184 -1.007 . . . . 2.32 112.207 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 p -158.38 -41.86 0.06 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.05 0.452 . . . . 4.41 110.294 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -101.24 57.73 0.68 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.014 -0.612 . . . . 4.49 111.865 178.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -92.16 12.05 70.57 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.506 -0.854 . . . . 6.24 112.016 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.19 -177.95 5.96 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.131 -0.322 . . . . 6.29 110.131 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.11 95.05 1.49 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.8 -0.714 . . . . 8.41 112.1 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.75 26.38 7.49 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 121.026 -0.607 . . . . 10.44 112.297 -178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.6 tp60 -172.24 -54.34 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.185 0.594 . . . . 12.25 109.439 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.18 27.67 43.79 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.569 -0.824 . . . . 11.72 112.175 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.3 mmt 63.91 -162.35 0.28 Allowed 'General case' 0 C--O 1.234 0.271 0 C-N-CA 122.621 0.368 . . . . 14.29 110.499 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.8 mt 59.86 46.44 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.714 0.768 . . . . 14.51 110.197 178.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -106.7 14.09 27.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.757 -0.656 . . . . 16.8 109.638 179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -60.36 134.33 91.08 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.231 -0.895 . . . . 17.64 110.345 178.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.64 171.22 15.99 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.274 1.983 . . . . 20.1 113.718 -177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -164.64 138.55 5.14 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.276 -1.329 . . . . 20.94 108.783 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -99.91 126.92 35.15 Favored Pre-proline 0 C--N 1.321 -0.655 0 C-N-CA 120.742 -0.383 . . . . 22.94 110.946 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -64.6 154.49 71.84 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.202 1.935 . . . . 23.54 111.211 176.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -49.65 119.17 4.38 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.851 2.367 . . . . 25.03 112.378 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.22 -28.57 15.34 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.868 -0.682 . . . . 26.59 113.335 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -82.95 125.91 31.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 117.836 0.818 . . . . 26.61 110.155 178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 42.7 mt-10 -120.63 136.69 54.75 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 120.85 0.357 . . . . 26.95 110.845 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 54.9 ttp -104.82 124.58 49.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.737 -0.838 . . . . 25.77 108.737 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.645 ' HD2' HG21 ' A' ' 92' ' ' VAL . 87.8 mttt -142.07 153.5 44.22 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.399 -0.593 . . . . 28.23 109.399 -176.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 89' ' ' ARG . 89.9 m-85 -118.43 159.15 23.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.034 0.445 . . . . 29.77 111.605 -175.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.7 p -95.99 170.48 9.26 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.439 -0.948 . . . . 31.75 108.439 176.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.3 t -77.02 14.21 0.91 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.174 0.511 . . . . 34.32 111.509 -178.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -121.28 2.83 10.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.003 0.43 . . . . 35.43 110.13 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.19 19.68 62.17 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.682 -0.77 . . . . 31.3 112.29 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.68 143.29 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.59 -0.522 . . . . 31.86 109.59 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.514 ' HG3' ' CE2' ' A' ' 83' ' ' TYR . 9.5 ttt180 -98.62 131.15 45.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.928 -0.578 . . . . 28.74 111.232 -176.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -138.97 151.52 46.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.048 -0.723 . . . . 30.27 109.048 173.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -114.22 146.28 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.019 0.437 . . . . 28.69 110.467 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.645 HG21 ' HD2' ' A' ' 82' ' ' LYS . 47.5 t -115.73 110.57 32.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.804 -0.635 . . . . 29.13 111.022 -176.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.78 87.09 2.22 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 107.181 -1.415 . . . . 29.7 107.181 173.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -75.22 -2.25 27.11 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 121.996 -0.44 . . . . 29.9 111.442 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -76.14 -42.17 47.68 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.815 -0.439 . . . . 31.42 109.815 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.1 p -104.77 -13.46 15.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.088 0.471 . . . . 33.14 110.172 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 66.09 69.58 0.44 Allowed 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 114.849 -1.068 . . . . 35.29 111.036 -177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.7 p -142.4 156.09 45.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 113.704 -1.589 . . . . 32.59 109.509 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.7 p -107.56 142.78 36.95 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.797 -0.361 . . . . 32.77 110.858 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.1 t -150.36 158.7 44.44 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 120.567 0.223 . . . . 30.32 110.654 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -108.94 108.48 19.25 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.143 -0.317 . . . . 31.76 110.143 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -139.36 99.9 3.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.423 -0.353 . . . . 28.42 111.594 -178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.34 148.02 33.81 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.875 -0.416 . . . . 27.82 109.875 175.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -63.51 -30.7 71.58 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.993 2.462 . . . . 26.03 113.774 -175.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -97.75 134.59 22.19 Favored Pre-proline 0 C--N 1.323 -0.557 0 C-N-CA 120.712 -0.395 . . . . 27.8 111.429 -177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -69.51 119.25 6.24 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 121.702 1.602 . . . . 29.2 111.149 178.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.22 -30.58 3.3 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 121.187 -0.53 . . . . 30.61 112.593 -178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.7 t80 58.3 31.58 21.03 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 120.839 0.352 . . . . 30.1 110.594 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.179 -0.915 . . . . 32.01 110.485 178.823 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.756 -0.538 . . . . 4.75 111.756 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.455 ' O ' HG12 ' A' ' 24' ' ' VAL . 10.7 t -93.88 136.28 34.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.826 0.346 . . . . 2.45 110.34 -178.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -91.49 120.15 32.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.098 -0.705 . . . . 2.5 109.098 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ptp -108.32 138.22 44.98 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 118.383 0.538 . . . . 2.06 109.831 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -70.27 135.11 48.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 1.9 111.545 -179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 53' ' ' LYS . 9.3 m-85 -124.96 154.63 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.563 -0.744 . . . . 0.83 109.183 176.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.719 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 17.4 ptpt -137.12 153.6 50.48 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.719 0.295 . . . . 2.57 111.254 -178.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.619 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 11.8 tp -141.1 138.64 33.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.637 -0.71 . . . . 0.33 110.483 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.4 mt -119.64 124.29 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 108.724 -0.843 . . . . 0.62 108.724 176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -89.76 105.64 17.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.224 -0.658 . . . . 0.25 109.224 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -101.65 86.29 2.91 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 120.189 -0.605 . . . . 1.96 109.604 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.593 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -142.43 123.51 2.19 Favored Glycine 0 C--O 1.218 -0.854 0 N-CA-C 109.45 -1.46 . . . . 0.91 109.45 176.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -41.18 -42.44 2.06 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.705 1.002 . . . . 3.26 113.705 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.5 m -79.36 -31.61 42.99 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 122.168 -0.332 . . . . 1.93 111.885 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -133.62 106.79 7.6 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 122.139 -0.351 . . . . 1.8 110.831 -176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.593 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 10.3 mtmm -126.36 128.75 47.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.091 0.472 . . . . 2.49 110.955 -177.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.89 -169.17 40.98 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.288 -0.869 . . . . 0.39 110.991 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -154.93 163.59 40.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.217 0.509 . . . . 1.69 111.054 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 t -161.44 164.36 29.85 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.529 -0.545 . . . . 0.58 109.529 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 36.1 p -128.82 158.41 38.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.574 0.226 . . . . 0.38 111.231 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 t -156.22 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.987 -0.745 . . . . 0.38 108.987 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -102.46 138.03 39.91 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.958 -0.386 . . . . 2.26 109.958 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.52 162.06 41.35 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 110.361 -0.237 . . . . 0.38 110.361 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 2' ' ' SER . 30.1 m -101.51 -9.71 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 112.302 0.482 . . . . 1.09 112.302 177.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.454 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 19.6 m-20 -137.19 153.15 50.5 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 109.994 -0.373 . . . . 2.13 109.994 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.82 -39.71 72.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.38 . . . . 0.59 110.791 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 31' ' ' LYS . . . -65.63 -35.36 80.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 0.48 111.009 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.454 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 5.2 m -67.48 -33.0 74.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.419 -0.355 . . . . 0.46 111.06 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.02 -33.4 70.31 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.51 0.672 . . . . 0.28 109.267 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.594 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 14.4 tt0 -67.36 -55.81 12.28 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.851 -1.068 . . . . 1.29 109.515 177.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 27' ' ' ALA . 27.4 mmmt -51.06 -43.11 60.93 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.828 -0.624 . . . . 2.42 112.531 -177.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.62 -50.44 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.733 0.302 . . . . 0.3 111.436 -177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 6.5 m-85 -66.75 -22.98 66.04 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.938 0.347 . . . . 1.11 111.938 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.594 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 37.6 mtpt -70.78 -43.17 69.27 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 110.093 -0.336 . . . . 1.09 110.093 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -67.58 -31.11 70.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.053 -0.721 . . . . 2.2 109.053 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.573 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 19.2 t80 -66.93 -47.89 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.836 -1.074 . . . . 1.24 110.551 177.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.18 65.83 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.009 -0.541 . . . . 0.22 110.43 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -61.96 -45.35 94.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.412 -0.813 . . . . 1.39 110.032 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.2 -24.05 67.53 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.927 -0.579 . . . . 1.78 111.099 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -94.74 -7.35 40.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 1.78 110.798 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.84 27.93 61.81 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.027 -0.606 . . . . 0.37 113.151 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.8 t -103.22 120.48 53.19 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.105 -0.702 . . . . 0.46 109.105 176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -144.02 98.51 3.23 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.458 -0.792 . . . . 1.86 109.008 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -150.81 -169.32 16.51 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.768 -0.533 . . . . 0.43 111.768 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.24 144.88 49.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.697 0.284 . . . . 2.79 111.247 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.593 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 10.0 m95 -114.14 116.1 28.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.934 -0.575 . . . . 0.41 111.45 -179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 p -109.89 158.95 17.66 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.892 -0.595 . . . . 0.63 109.826 177.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -151.9 140.17 20.39 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.993 -0.283 . . . . 1.18 111.092 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.68 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.2 p30 -112.3 150.44 30.98 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.512 -0.921 . . . . 2.07 108.512 176.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -77.9 -60.5 2.34 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 113.283 0.845 . . . . 2.28 113.283 -170.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.86 88.1 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.497 0.925 . . . . 0.91 113.497 -172.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -99.67 -8.09 24.83 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.314 0.857 . . . . 1.19 113.314 -175.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 6' ' ' TYR . 0.0 OUTLIER 56.38 40.2 29.81 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.134 0.493 . . . . 2.08 111.266 177.419 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.719 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.0 m -90.05 107.76 19.32 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.018 -0.537 . . . . 0.51 111.372 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.619 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 29.9 m-85 -83.9 128.29 34.44 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.698 -0.853 . . . . 1.19 108.698 175.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 89.1 m -125.79 121.46 33.38 Favored 'General case' 0 C--N 1.316 -0.868 0 C-N-CA 120.794 -0.362 . . . . 0.96 110.711 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.9 p -104.12 112.59 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.479 -0.934 . . . . 0.3 108.479 176.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.5 m -108.25 124.31 50.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.536 -0.756 . . . . 0.52 111.246 -176.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -64.2 147.0 53.35 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.912 -0.586 . . . . 2.56 110.037 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.45 -161.47 33.18 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.466 -0.873 . . . . 2.32 111.392 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 p -143.13 -57.36 0.42 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.848 0.356 . . . . 4.41 111.405 -179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.54 72.38 1.28 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.094 -1.05 . . . . 4.49 110.96 -178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.34 -25.12 74.85 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 121.383 -0.437 . . . . 6.24 112.721 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 65.19 -167.77 0.21 Allowed 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.9 0.48 . . . . 6.29 110.898 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.75 60.3 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.347 -0.93 . . . . 8.41 112.499 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.41 27.34 11.62 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.759 -0.734 . . . . 10.44 112.555 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -92.49 -75.66 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.893 0.378 . . . . 12.25 110.68 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.5 -158.87 27.9 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.02 -0.609 . . . . 11.72 111.78 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 22.6 ptm -146.88 86.05 1.64 Allowed 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.422 0.629 . . . . 14.29 111.488 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.5 mm -133.25 84.52 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.998 -0.741 . . . . 14.51 108.998 178.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.45 13.64 5.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 16.8 111.768 -178.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -104.76 143.43 26.69 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 109.447 -0.575 . . . . 17.64 109.447 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.06 174.98 8.12 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.839 2.359 . . . . 20.1 113.571 -176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.04 167.1 31.45 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.781 -1.099 . . . . 20.94 110.13 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.34 157.0 34.61 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 116.218 -0.446 . . . . 22.94 109.969 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.76 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 3.0 Cg_exo -76.69 173.28 14.73 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.057 1.838 . . . . 23.54 110.35 178.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 76' ' ' PRO . 65.8 Cg_endo -64.42 128.37 21.2 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.615 2.21 . . . . 25.03 111.637 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.03 -8.91 61.79 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 120.459 -0.877 . . . . 26.59 114.612 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.76 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 75.0 m95 -98.3 114.63 27.0 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.707 1.254 . . . . 26.61 111.161 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.636 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 49.3 mt-10 -105.65 142.68 34.97 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.419 -0.585 . . . . 26.95 109.419 176.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -134.85 134.74 41.08 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.281 -0.266 . . . . 25.77 110.281 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -160.76 157.01 26.16 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.842 -0.429 . . . . 28.23 109.842 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -102.29 148.76 25.07 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.66 -0.246 . . . . 29.77 110.675 -177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 16.8 p -86.96 -178.35 6.27 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.248 -0.433 . . . . 31.75 110.441 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 p -65.26 -38.38 90.14 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.409 0.522 . . . . 34.32 112.409 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -85.05 9.45 14.67 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.812 0.339 . . . . 35.43 111.27 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.25 14.87 67.91 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 121.006 -0.616 . . . . 31.3 113.763 176.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 84.7 t -86.75 134.97 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.985 0.393 . . . . 31.86 110.236 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.52 HH21 ' HZ ' ' A' ' 91' ' ' PHE . 48.5 ttt180 -93.35 127.42 38.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.969 -0.559 . . . . 28.74 110.448 -179.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -132.73 155.27 49.15 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 120.396 -0.522 . . . . 30.27 110.245 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.52 ' HZ ' HH21 ' A' ' 89' ' ' ARG . 19.5 m-85 -114.43 146.63 40.38 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.203 0.525 . . . . 28.69 110.971 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.636 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 39.4 t -120.22 103.83 14.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.347 -0.842 . . . . 29.13 110.042 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.7 92.47 2.46 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.625 -1.25 . . . . 29.7 107.625 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -71.84 -13.01 61.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.958 0.409 . . . . 29.9 110.599 -175.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -74.4 -33.92 63.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 31.42 110.329 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.2 p -112.38 -10.02 13.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.591 0.234 . . . . 33.14 111.293 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 62.31 72.16 0.51 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 122.084 0.945 . . . . 35.29 110.654 -177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.4 p -149.9 156.56 41.98 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.173 -1.376 . . . . 32.59 110.043 -176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 p -112.56 126.62 55.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.588 -0.523 . . . . 32.77 109.588 178.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.7 t -132.09 156.18 46.79 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.109 0.481 . . . . 30.32 111.053 -179.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -112.01 99.32 7.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.782 -0.644 . . . . 31.76 110.882 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -136.32 101.02 4.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.133 -0.691 . . . . 28.42 109.133 177.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 104' ' ' PRO . 13.6 t70 -111.55 144.88 31.47 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.573 -0.74 . . . . 27.82 110.48 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 103' ' ' ASP . 18.2 Cg_exo -64.19 -22.02 67.27 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.013 2.475 . . . . 26.03 113.787 -179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 139.91 84.92 Favored Pre-proline 0 CA--C 1.532 0.252 0 C-N-CA 120.266 -0.574 . . . . 27.8 109.859 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.77 118.83 5.92 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.037 1.825 . . . . 29.2 112.881 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.43 -30.63 1.42 Allowed Glycine 0 CA--C 1.524 0.64 0 CA-C-O 119.423 -0.654 . . . . 30.61 113.769 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.9 t80 53.75 62.43 2.62 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.607 0.717 . . . . 30.1 109.332 -175.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.251 1.161 0 CA-C-O 118.038 -0.982 . . . . 32.01 109.312 -178.773 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.772 -0.531 . . . . 4.75 111.772 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -93.6 -6.61 46.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.713 0.292 . . . . 2.45 111.426 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -120.74 161.03 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 110.357 -0.238 . . . . 2.5 110.357 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.8 mtp -121.19 137.37 54.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.183 -1.043 . . . . 2.06 108.183 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -83.78 116.14 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.983 0.42 . . . . 1.9 111.121 -177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.453 ' CE1' ' HE3' ' A' ' 53' ' ' LYS . 59.3 m-85 -107.91 156.67 18.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.829 -0.623 . . . . 0.83 109.366 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' HG3' ' HA ' ' A' ' 54' ' ' THR . 8.8 ptpp? -134.01 155.19 50.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.303 -0.408 . . . . 2.57 111.59 -178.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.553 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.6 tp -136.52 145.03 44.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.885 -0.598 . . . . 0.33 110.084 179.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.468 HG12 ' HG2' ' A' ' 18' ' ' GLU . 82.8 mt -124.09 123.35 66.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.082 -0.71 . . . . 0.62 109.082 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.4 mm? -92.15 104.57 16.94 Favored 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 109.304 -0.628 . . . . 0.25 109.304 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' HB2' ' HA ' ' A' ' 58' ' ' THR . 6.7 m120 -95.18 85.22 4.24 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.784 -0.821 . . . . 1.96 108.784 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.769 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -144.42 144.23 13.09 Favored Glycine 0 C--O 1.222 -0.618 0 CA-C-N 115.786 -0.643 . . . . 0.91 112.406 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -49.38 -45.65 46.24 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 123.41 0.684 . . . . 3.26 112.564 -176.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.9 p -104.92 8.7 34.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.897 0.379 . . . . 1.93 111.056 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -148.05 95.58 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.983 -0.747 . . . . 1.8 108.983 -177.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.769 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 88.7 mttt -133.52 111.15 10.46 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.687 -0.688 . . . . 2.49 109.993 -178.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.36 -172.4 44.84 Favored Glycine 0 N--CA 1.443 -0.862 0 N-CA-C 110.496 -1.042 . . . . 0.39 110.496 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.468 ' HG2' HG12 ' A' ' 9' ' ' ILE . 27.4 mt-10 -135.27 167.08 21.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 117.25 0.525 . . . . 1.69 110.658 -178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.454 HG21 ' CE2' ' A' ' 36' ' ' TYR . 15.3 t -159.41 161.41 35.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.249 -0.648 . . . . 0.58 109.249 178.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -138.1 159.18 42.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.988 0.423 . . . . 0.38 111.672 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -159.32 156.56 28.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.734 -0.666 . . . . 0.38 109.247 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -103.73 124.5 48.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.064 0.459 . . . . 2.26 109.852 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.82 157.55 46.49 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.957 -0.386 . . . . 0.38 109.957 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -87.39 -25.76 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 111.595 0.22 . . . . 1.09 111.595 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -135.95 158.17 45.05 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.871 -0.418 . . . . 2.13 109.871 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.7 -37.02 65.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.562 -0.29 . . . . 0.59 111.047 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.97 74.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.078 0.466 . . . . 0.48 110.384 -179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -73.41 -28.88 62.24 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.462 -0.79 . . . . 0.46 110.454 178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.03 -37.76 64.23 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.163 -0.472 . . . . 0.28 110.193 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -63.29 -57.98 8.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.72 -0.673 . . . . 1.29 109.464 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 31' ' ' LYS . 29.8 mmtp -48.71 -45.22 38.98 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 114.977 -1.011 . . . . 2.42 113.362 -177.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -68.21 -45.5 82.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 121.187 -0.205 . . . . 0.3 111.193 -179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.626 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.3 m-85 -71.0 -16.88 62.65 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.891 -0.323 . . . . 1.11 111.475 179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -67.83 -44.53 77.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.502 -0.555 . . . . 1.09 109.502 177.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 6.3 tp60 -70.43 -30.72 67.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.677 -0.692 . . . . 2.2 109.231 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.626 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 33.8 t80 -68.26 -48.18 65.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.025 -0.989 . . . . 1.24 110.419 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.7 -32.18 69.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.3 -0.409 . . . . 0.22 110.039 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -62.47 -41.62 98.91 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.689 -0.687 . . . . 1.39 109.598 177.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -71.23 -20.1 62.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.351 -0.84 . . . . 1.78 110.821 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -93.63 -12.53 29.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.243 -0.435 . . . . 1.78 110.528 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.87 29.62 41.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.162 -0.542 . . . . 0.37 113.135 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -106.15 116.73 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 117.611 0.706 . . . . 0.46 111.064 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -114.36 132.53 56.17 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 108.272 -1.01 . . . . 1.86 108.272 178.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 179.02 -175.23 47.15 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 119.801 -1.19 . . . . 0.43 112.772 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -72.65 150.96 42.54 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.985 0.421 . . . . 2.79 110.499 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -111.71 103.99 12.31 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.785 -0.643 . . . . 0.41 110.803 -178.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -104.63 155.19 19.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.589 -0.732 . . . . 0.63 109.927 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -148.22 149.75 32.49 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 1.18 110.864 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -129.62 131.16 46.39 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 108.354 -0.98 . . . . 2.07 108.354 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.99 -22.1 31.49 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 122.266 -0.271 . . . . 2.28 111.569 -173.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.44 -36.78 57.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.855 0.36 . . . . 0.91 111.245 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.2 p -99.59 -17.45 17.83 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.362 0.504 . . . . 1.19 112.362 -178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' HE3' ' CE1' ' A' ' 6' ' ' TYR . 28.0 mmmt 61.35 47.8 6.57 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 108.664 -0.865 . . . . 2.08 108.664 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.572 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 9.8 m -117.42 124.77 49.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.706 -1.134 . . . . 0.51 112.029 -174.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.553 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 33.4 m-85 -95.48 130.1 42.43 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.674 -0.862 . . . . 1.19 108.674 173.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.9 m -124.56 124.09 41.49 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.087 -0.383 . . . . 0.96 110.941 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -107.47 109.12 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.26 -1.015 . . . . 0.3 108.26 177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.44 ' HA ' ' HB2' ' A' ' 11' ' ' ASN . 5.4 m -97.99 118.15 33.94 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.977 -0.556 . . . . 0.52 111.048 -175.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -74.7 88.75 2.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.723 -0.671 . . . . 2.56 109.458 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -135.42 128.91 4.86 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.823 -0.703 . . . . 2.32 111.639 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 m -148.79 20.54 1.01 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.971 0.415 . . . . 4.41 110.232 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -140.09 85.72 0.21 Allowed Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.246 -0.978 . . . . 4.49 112.844 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.57 -29.07 74.16 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 110.644 -0.983 . . . . 6.24 110.644 175.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.32 136.88 15.1 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.41 -0.959 . . . . 6.29 108.41 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.71 103.12 0.18 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 119.752 -1.213 . . . . 8.41 112.981 -178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -99.09 -38.67 3.74 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 110.915 -0.874 . . . . 10.44 110.915 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 63.42 17.35 10.24 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.303 0.641 . . . . 12.25 110.783 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.44 82.81 0.16 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.623 -0.798 . . . . 11.72 113.091 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.618 ' O ' ' HB ' ' A' ' 70' ' ' ILE . 27.8 ttt -145.95 69.55 1.22 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.402 -0.592 . . . . 14.29 109.402 177.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.618 ' HB ' ' O ' ' A' ' 69' ' ' MET . 12.3 tt 160.92 9.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 114.822 -1.081 . . . . 14.51 108.75 -177.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -103.71 21.73 15.68 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.24 -1.022 . . . . 16.8 108.24 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -88.02 157.67 51.0 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 114.216 -1.356 . . . . 17.64 109.34 -175.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.92 150.36 26.76 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.489 2.126 . . . . 20.1 111.045 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.35 -167.97 1.58 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.917 -0.583 . . . . 20.94 110.332 -176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.428 ' H ' HD22 ' A' ' 75' ' ' LEU . 3.2 mm? -61.81 130.53 92.48 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.106 -0.497 . . . . 22.94 110.006 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -61.28 150.63 83.87 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.383 2.055 . . . . 23.54 111.966 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -49.5 120.43 5.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.717 2.278 . . . . 25.03 111.95 177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.13 -29.53 11.88 Favored Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.297 -0.954 . . . . 26.59 113.134 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -90.07 126.0 35.62 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 117.507 0.654 . . . . 26.61 110.325 178.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -124.3 150.15 45.74 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 122.103 -0.373 . . . . 26.95 110.054 176.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -128.14 127.37 42.86 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.312 -0.625 . . . . 25.77 109.312 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -141.12 160.28 40.43 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 109.441 -0.577 . . . . 28.23 109.441 -176.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -112.26 149.16 32.74 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.617 0.246 . . . . 29.77 110.889 -176.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.9 p -83.45 178.86 7.84 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 108.661 -0.866 . . . . 31.75 108.661 175.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.8 m -68.64 -11.52 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.66 0.985 . . . . 34.32 113.66 -175.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -115.55 7.9 15.0 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.886 0.374 . . . . 35.43 111.2 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 98.15 -12.91 63.65 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.14 -1.029 . . . . 31.3 112.982 178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.11 132.94 30.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 108.607 -0.886 . . . . 31.86 108.607 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.497 ' O ' ' HG3' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -104.69 145.07 30.87 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.808 0.337 . . . . 28.74 111.567 -175.466 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -138.56 155.16 48.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.245 -0.65 . . . . 30.27 109.245 175.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.747 ' CD2' ' HA ' ' A' ' 102' ' ' LYS . 69.3 m-85 -107.86 155.5 20.2 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 120.419 -0.512 . . . . 28.69 110.089 178.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.5 t -116.5 102.8 14.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.942 -0.572 . . . . 29.13 110.266 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -73.35 86.31 1.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.186 -1.042 . . . . 29.7 108.186 175.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -70.71 -14.91 62.63 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.205 -0.309 . . . . 29.9 111.63 -174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.643 HD22 ' N ' ' A' ' 96' ' ' THR . 0.4 OUTLIER -82.65 -17.79 43.37 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.789 0.292 . . . . 31.42 111.789 179.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.643 ' N ' HD22 ' A' ' 95' ' ' ASN . 2.6 p -120.85 -1.61 9.91 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.72 0.295 . . . . 33.14 110.684 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.2 mtm180 56.74 67.01 1.05 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.974 0.892 . . . . 35.29 111.182 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 t -159.74 170.58 21.22 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.326 -1.306 . . . . 32.59 109.968 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.5 p -124.51 101.52 7.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.199 -0.455 . . . . 32.77 110.761 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 t -89.96 159.59 16.83 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.796 -0.446 . . . . 30.32 109.796 178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -84.45 143.94 29.07 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 119.491 -0.884 . . . . 31.76 110.823 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.747 ' HA ' ' CD2' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -54.35 137.03 42.85 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.631 1.715 . . . . 28.42 115.631 -173.589 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -123.2 144.04 42.53 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 113.724 -1.58 . . . . 27.82 107.339 169.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -57.29 -27.36 74.86 Favored 'Trans proline' 0 CA--C 1.533 0.443 0 C-N-CA 122.613 2.209 . . . . 26.03 112.603 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -111.34 109.51 56.37 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-O 119.623 -0.227 . . . . 27.8 110.5 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -51.72 123.29 11.98 Favored 'Trans proline' 0 C--N 1.356 0.957 0 C-N-CA 122.175 1.916 . . . . 29.2 112.544 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.25 -36.45 3.56 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-O 119.716 -0.491 . . . . 30.61 112.022 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.4 p90 39.15 32.17 0.07 Allowed 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 113.975 1.102 . . . . 30.1 113.975 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 119.008 -0.52 . . . . 32.01 110.243 178.565 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 111.361 -0.696 . . . . 4.75 111.361 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 m -107.95 17.75 22.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.087 0.47 . . . . 2.45 110.351 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 22' ' ' GLU . 39.3 m170 -120.16 162.24 19.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.019 -0.537 . . . . 2.5 110.983 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 70.5 mtp -111.6 138.84 47.61 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 108.343 -0.984 . . . . 2.06 108.343 176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -80.35 118.69 22.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.858 0.361 . . . . 1.9 111.271 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 54.6 m-85 -120.03 139.18 52.92 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 109.139 -0.689 . . . . 0.83 109.139 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' HB3' HG22 ' A' ' 20' ' ' THR . 14.8 ptpt -122.69 158.43 30.1 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.32 0.581 . . . . 2.57 111.43 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 13.2 tp -139.49 137.55 35.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.961 -1.018 . . . . 0.33 110.159 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 18' ' ' GLU . 34.5 mt -116.37 122.38 69.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.155 -0.683 . . . . 0.62 109.155 177.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 1.7 mm? -92.88 107.91 19.58 Favored 'General case' 0 CA--C 1.507 -0.679 0 N-CA-C 109.142 -0.688 . . . . 0.25 109.142 178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.36 85.88 2.56 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.886 -1.154 . . . . 1.96 107.886 177.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.647 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -150.33 139.17 7.13 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.488 -0.778 . . . . 0.91 111.544 179.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 11.3 mmmm -47.73 -31.63 4.98 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.733 0.813 . . . . 3.26 112.763 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 p -80.19 -33.25 38.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.293 -0.412 . . . . 1.93 111.783 -177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -150.97 112.7 4.47 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 116.459 -0.337 . . . . 1.8 111.037 -176.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.647 ' HG3' ' O ' ' A' ' 12' ' ' GLY . 1.5 mtmt -122.18 111.9 17.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 2.49 109.96 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.64 -171.72 43.98 Favored Glycine 0 N--CA 1.447 -0.571 0 N-CA-C 110.305 -1.118 . . . . 0.39 110.305 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HB3' ' HA ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -152.66 157.39 40.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 117.49 0.645 . . . . 1.69 111.693 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 t -155.22 179.63 8.97 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.138 -0.483 . . . . 0.58 110.568 -178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.552 HG22 ' HB3' ' A' ' 7' ' ' LYS . 52.8 p -133.69 157.7 45.13 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 111.999 0.37 . . . . 0.38 111.999 -177.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.9 t -146.14 156.71 43.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.788 -0.819 . . . . 0.38 108.788 175.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 49.0 mt-10 -98.98 124.99 44.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.651 -0.249 . . . . 2.26 110.497 -179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -143.66 158.48 43.64 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 109.696 -0.483 . . . . 0.38 109.696 177.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.3 m -103.3 6.83 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 117.787 0.267 . . . . 1.09 111.557 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -153.12 156.9 39.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.717 0.294 . . . . 2.13 110.558 -177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.61 -41.77 53.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.905 -0.589 . . . . 0.59 111.139 -177.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.26 -38.67 71.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.04 0.448 . . . . 0.48 110.256 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m -64.12 -29.85 70.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.524 -0.762 . . . . 0.46 110.395 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.39 -37.22 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.195 0.521 . . . . 0.28 109.965 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 22.0 tt0 -63.22 -56.9 12.74 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.917 -1.038 . . . . 1.29 109.894 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -48.57 -44.54 36.75 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.131 -0.94 . . . . 2.42 113.487 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.3 t -66.68 -47.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.706 0.289 . . . . 0.3 111.413 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 7.6 m-85 -66.65 -20.93 66.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.579 -0.282 . . . . 1.11 111.289 -179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 11.1 mtpt -68.76 -41.17 79.23 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.658 -0.497 . . . . 1.09 109.658 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.0 tm0? -70.39 -33.11 71.01 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.873 -0.788 . . . . 2.2 108.873 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.472 ' HB3' ' HA ' ' A' ' 33' ' ' PHE . 38.1 t80 -65.75 -50.28 65.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.784 -1.098 . . . . 1.24 110.946 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.52 -33.64 71.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.094 0.473 . . . . 0.22 110.285 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -56.53 -57.0 14.22 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.081 -0.963 . . . . 1.39 111.517 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.83 -17.86 64.07 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.183 0.438 . . . . 1.78 112.183 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -86.54 -13.6 45.43 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.994 0.426 . . . . 1.78 110.278 177.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.23 28.81 26.89 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.543 -0.753 . . . . 0.37 112.584 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.7 t -115.33 114.59 46.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 120.979 0.418 . . . . 0.46 110.388 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -144.14 97.01 2.98 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.74 0.781 . . . . 1.86 109.448 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . -132.74 -166.93 11.62 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.463 -1.055 . . . . 0.43 110.463 -179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.627 ' HG2' ' HB ' ' A' ' 58' ' ' THR . 13.4 pt-20 -53.45 133.43 40.66 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.789 0.328 . . . . 2.79 110.169 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -108.9 118.49 36.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.486 -0.325 . . . . 0.41 110.626 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.473 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 25.6 p -126.36 149.03 49.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.157 -0.474 . . . . 0.63 110.703 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -141.23 137.56 32.65 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 120.771 0.319 . . . . 1.18 111.021 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -121.85 135.66 54.9 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.906 -1.146 . . . . 2.07 107.906 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -87.9 -10.26 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.939 -0.704 . . . . 2.28 110.984 -173.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -74.14 -36.57 64.16 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.64 -0.424 . . . . 0.91 110.837 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -109.69 -15.12 14.22 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.677 0.621 . . . . 1.19 112.677 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 6' ' ' TYR . 14.1 mptt 64.9 34.58 9.02 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-O 121.282 0.563 . . . . 2.08 110.23 -176.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.404 ' HA ' ' HG3' ' A' ' 7' ' ' LYS . 6.7 m -101.9 119.02 38.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.589 -0.732 . . . . 0.51 112.07 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.509 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 37.2 m-85 -89.72 127.73 35.99 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.202 -1.036 . . . . 1.19 108.202 171.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.473 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 12.7 m -120.09 118.26 30.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.12 -0.491 . . . . 0.96 110.844 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -113.86 110.83 33.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-O 121.458 0.647 . . . . 0.3 109.324 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.627 ' HB ' ' HG2' ' A' ' 45' ' ' GLU . 25.0 m -109.83 122.73 48.17 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.762 -0.653 . . . . 0.52 111.812 -175.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -66.12 153.16 43.09 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.075 -0.512 . . . . 2.56 110.401 178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -163.21 146.99 12.33 Favored Glycine 0 C--N 1.331 0.279 0 N-CA-C 111.374 -0.691 . . . . 2.32 111.374 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.6 m -148.94 -67.96 0.22 Allowed 'General case' 0 C--N 1.321 -0.647 0 O-C-N 122.667 -0.314 . . . . 4.41 111.01 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.1 -167.45 34.37 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.753 -0.737 . . . . 4.49 111.738 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.35 -40.59 0.25 Allowed Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.767 -0.73 . . . . 6.24 112.346 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 57.57 31.08 19.77 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 122.659 0.384 . . . . 6.29 111.842 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.73 159.94 28.46 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.871 -0.681 . . . . 8.41 112.77 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -110.87 8.25 29.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.665 -0.778 . . . . 10.44 112.322 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 65.95 24.19 11.18 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.059 0.544 . . . . 12.25 111.127 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.15 170.09 11.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.503 -0.856 . . . . 11.72 112.939 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.2 54.88 0.79 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.483 0.659 . . . . 14.29 109.868 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.4 mt -102.28 77.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.492 -0.776 . . . . 14.51 109.068 -176.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -107.85 11.74 27.83 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.656 0.741 . . . . 16.8 110.061 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -93.25 147.32 33.55 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.03 -0.986 . . . . 17.64 110.044 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.03 174.49 10.53 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.318 2.012 . . . . 20.1 111.924 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.66 167.99 27.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.955 -0.566 . . . . 20.94 110.985 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.58 146.83 84.07 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.041 -0.527 . . . . 22.94 109.696 178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.501 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 17.1 Cg_exo -69.6 147.89 64.92 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 121.938 1.759 . . . . 23.54 111.02 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -47.09 125.23 9.92 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.797 2.331 . . . . 25.03 112.052 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.61 -26.42 24.02 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.662 -0.78 . . . . 26.59 112.999 -177.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.501 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.5 m95 -91.7 142.67 27.35 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 117.109 0.455 . . . . 26.61 110.552 178.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.617 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 9.6 tp10 -128.75 156.72 43.08 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.91 -0.774 . . . . 26.95 108.91 178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.496 ' SD ' ' HD2' ' A' ' 89' ' ' ARG . 14.9 tmm? -138.33 120.6 15.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.188 -0.301 . . . . 25.77 110.188 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' HE2' HG21 ' A' ' 92' ' ' VAL . 40.4 mtmt -141.52 163.29 33.33 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 109.85 -0.426 . . . . 28.23 109.85 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -107.58 158.57 17.13 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.648 0.261 . . . . 29.77 111.278 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.5 p -86.44 -161.54 0.66 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.041 -0.527 . . . . 31.75 109.674 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.5 p -85.48 -4.66 59.23 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.423 0.527 . . . . 34.32 112.423 -177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -120.81 14.0 11.59 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.903 0.382 . . . . 35.43 111.466 -177.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.92 15.56 64.99 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.74 -0.743 . . . . 31.3 113.656 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.25 126.62 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.191 0.496 . . . . 31.86 109.937 178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.496 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 1.3 ttt180 -89.18 127.38 35.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.77 -0.65 . . . . 28.74 111.847 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -122.34 153.26 39.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.891 -0.595 . . . . 30.27 109.726 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.536 ' HD2' ' H ' ' A' ' 102' ' ' LYS . 69.2 m-85 -98.1 144.47 27.56 Favored 'General case' 0 N--CA 1.446 -0.671 0 N-CA-C 109.129 -0.693 . . . . 28.69 109.129 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 48.2 t -127.66 112.64 28.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.349 -0.387 . . . . 29.13 111.258 -172.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.18 78.44 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.336 -0.616 . . . . 29.7 109.336 174.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -52.07 -20.25 2.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.092 0.557 . . . . 29.9 111.552 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -79.45 -31.0 42.4 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.105 -0.498 . . . . 31.42 112.005 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.6 p -117.05 -5.62 11.41 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.896 0.379 . . . . 33.14 111.229 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 50.2 mtm180 61.01 76.93 0.35 Allowed 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.549 -0.751 . . . . 35.29 111.072 -179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -154.91 158.83 39.89 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.411 -1.268 . . . . 32.59 110.221 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 19.6 p -116.19 136.82 52.67 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 109.68 -0.489 . . . . 32.77 109.68 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.1 t -150.43 148.77 29.16 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.456 -0.498 . . . . 30.32 111.086 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -108.51 98.69 8.17 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.05 -0.523 . . . . 31.76 110.04 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.536 ' H ' ' HD2' ' A' ' 91' ' ' PHE . 30.3 mtpp -91.81 88.59 6.71 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.148 -0.686 . . . . 28.42 109.148 176.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -94.59 132.71 28.14 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.514 -0.766 . . . . 27.82 109.604 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.426 ' HG2' ' HD3' ' A' ' 105' ' ' ARG . 55.8 Cg_endo -71.18 -13.01 30.83 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.68 2.253 . . . . 26.03 113.012 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.426 ' HD3' ' HG2' ' A' ' 104' ' ' PRO . 0.0 OUTLIER -99.57 109.72 56.19 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 119.456 -0.307 . . . . 27.8 110.238 179.634 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -53.28 118.34 4.74 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 121.551 1.5 . . . . 29.2 111.414 176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.94 -22.1 2.44 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 120.931 -0.652 . . . . 30.61 113.48 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.5 p90 41.78 39.84 1.32 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 123.978 0.911 . . . . 30.1 112.671 -177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.378 -0.82 . . . . 32.01 109.131 177.411 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 112.438 -0.265 . . . . 4.75 112.438 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.506 ' O ' HG12 ' A' ' 24' ' ' VAL . 8.2 m -96.78 6.1 49.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.841 0.353 . . . . 2.45 110.761 -177.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -112.34 161.83 16.22 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.287 -0.264 . . . . 2.5 110.287 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.6 tpt -138.61 171.52 14.24 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.6 -0.889 . . . . 2.06 108.6 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -105.2 120.04 40.54 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.147 -0.478 . . . . 1.9 110.909 -177.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -114.87 138.29 50.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.452 -0.944 . . . . 0.83 108.452 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -123.02 163.38 20.57 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.224 0.535 . . . . 2.57 111.317 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 55' ' ' TYR . 14.8 tp -140.53 144.05 35.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.227 -0.897 . . . . 0.33 109.481 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.785 HG12 ' HG2' ' A' ' 18' ' ' GLU . 96.7 mt -119.01 123.09 70.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.043 -0.725 . . . . 0.62 109.043 177.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -91.85 95.02 9.61 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.27 -0.641 . . . . 0.25 109.27 178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' HB2' HG23 ' A' ' 58' ' ' THR . 80.6 m-20 -87.85 81.75 7.48 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 107.689 -1.226 . . . . 1.96 107.689 175.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.31 129.0 4.03 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.233 -1.147 . . . . 0.91 110.233 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -55.26 -20.02 9.94 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.525 0.565 . . . . 3.26 112.525 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.5 p -79.88 -48.36 13.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.064 0.459 . . . . 1.93 110.73 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 tp -140.29 113.34 8.3 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.95 -0.568 . . . . 1.8 110.312 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.3 mppt? -111.66 125.58 54.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.678 -0.49 . . . . 2.49 109.678 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.47 -169.66 41.38 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.568 -0.825 . . . . 0.39 112.097 -177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.785 ' HG2' HG12 ' A' ' 9' ' ' ILE . 43.0 mt-10 -137.64 167.63 21.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.765 0.317 . . . . 1.69 110.564 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.504 HG21 ' CE1' ' A' ' 36' ' ' TYR . 14.5 t -159.78 166.05 31.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.002 -0.544 . . . . 0.58 110.072 177.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.8 p -136.94 159.98 40.25 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.691 0.281 . . . . 0.38 111.282 -177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.9 t -159.8 155.86 26.53 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.324 -0.398 . . . . 0.38 110.224 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -91.68 128.85 37.67 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.021 -0.733 . . . . 2.26 109.021 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -150.16 154.15 37.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.583 -0.447 . . . . 0.38 110.382 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 2' ' ' SER . 27.9 m -106.05 2.78 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.743 0.306 . . . . 1.09 111.585 178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.434 ' HB2' ' OG1' ' A' ' 28' ' ' THR . 11.8 m-20 -145.98 156.53 43.57 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.158 -0.682 . . . . 2.13 109.158 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.35 -40.18 27.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.446 -0.575 . . . . 0.59 109.446 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.14 90.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.807 -0.633 . . . . 0.48 111.114 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' A' ' 25' ' ' ASP . 6.0 m -67.88 -29.2 68.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.04 -0.527 . . . . 0.46 110.666 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.77 -36.9 62.54 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.794 -0.447 . . . . 0.28 109.794 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.637 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 13.2 tt0 -61.1 -57.99 10.25 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 115.628 -0.714 . . . . 1.29 109.886 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -51.3 -43.71 61.71 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.823 0.675 . . . . 2.42 112.823 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 28' ' ' THR . 63.8 t -71.03 -49.85 46.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.724 0.297 . . . . 0.3 111.121 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 1.7 m-30 -66.78 -20.0 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.266 -0.424 . . . . 1.11 111.932 -178.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.64 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 34.0 mtpt -73.16 -41.76 63.55 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.83 -0.348 . . . . 1.09 110.101 179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -65.69 -32.53 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.91 -0.774 . . . . 2.2 108.91 174.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.504 ' CE1' HG21 ' A' ' 19' ' ' THR . 18.0 t80 -65.1 -50.19 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.764 -1.107 . . . . 1.24 110.428 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.93 83.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.655 -0.702 . . . . 0.22 110.271 178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -59.56 -42.65 92.91 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.346 -0.843 . . . . 1.39 111.252 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.52 -25.79 66.38 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.114 0.483 . . . . 1.78 111.177 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -102.72 1.59 34.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 1.78 111.197 -179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.51 29.09 64.32 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 121.054 -0.593 . . . . 0.37 113.296 178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -109.3 116.11 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.868 0.366 . . . . 0.46 110.597 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -150.71 129.54 12.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.747 -0.661 . . . . 1.86 109.427 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.413 ' O ' ' HD1' ' A' ' 46' ' ' TRP . . . -170.28 -168.4 32.06 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 110.843 -0.903 . . . . 0.43 110.843 -174.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -52.9 128.79 28.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.005 0.431 . . . . 2.79 110.46 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.64 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 6.8 m95 -106.75 113.53 27.08 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.325 -0.852 . . . . 0.41 110.437 -177.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.0 p -124.71 158.46 33.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.226 -0.443 . . . . 0.63 110.791 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -139.17 152.87 47.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.595 0.235 . . . . 1.18 110.724 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.604 ' HB3' HG22 ' A' ' 52' ' ' THR . 2.8 t70 -133.3 114.97 14.36 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.974 -0.751 . . . . 2.07 108.974 179.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.09 -36.73 80.44 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.039 0.447 . . . . 2.28 111.415 -175.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.72 63.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.672 -0.695 . . . . 0.91 112.484 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.604 HG22 ' HB3' ' A' ' 49' ' ' ASP . 12.8 t -130.13 3.9 4.81 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 113.826 1.047 . . . . 1.19 113.826 -176.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? 44.53 35.09 1.25 Allowed 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.253 0.549 . . . . 2.08 111.39 -177.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.0 m -112.38 117.36 32.23 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.912 -0.585 . . . . 0.51 110.958 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.472 ' O ' HD12 ' A' ' 8' ' ' LEU . 17.2 m-85 -83.65 137.65 33.69 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.327 -0.62 . . . . 1.19 109.327 173.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.43 121.84 39.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 116.231 -0.44 . . . . 0.96 111.85 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 p -115.0 118.58 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.87 -1.53 . . . . 0.3 106.87 175.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.418 HG23 ' HB2' ' A' ' 11' ' ' ASN . 3.8 m -124.37 120.07 31.07 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.292 0.567 . . . . 0.52 112.18 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.04 154.45 40.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.743 -1.117 . . . . 2.56 109.879 175.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.36 -164.58 9.1 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 120.886 -0.673 . . . . 2.32 113.265 -177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 t -86.27 -173.01 4.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.006 0.432 . . . . 4.41 110.977 -177.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -134.55 167.87 23.73 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.466 -0.654 . . . . 4.49 111.466 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -113.95 25.36 10.86 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.202 -0.999 . . . . 6.24 113.327 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.74 -78.98 0.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.217 0.508 . . . . 6.29 110.421 178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.93 -68.78 3.43 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.177 -0.535 . . . . 8.41 113.398 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.83 -41.21 83.71 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.878 -0.677 . . . . 10.44 113.557 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -142.07 120.07 12.05 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.769 -0.456 . . . . 12.25 109.769 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.14 -170.99 47.55 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.796 -0.716 . . . . 11.72 113.185 -176.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.776 ' HG2' ' H ' ' A' ' 70' ' ' ILE . 34.0 ttp -170.75 -151.36 0.08 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 107.62 -1.252 . . . . 14.29 107.62 -178.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.776 ' H ' ' HG2' ' A' ' 69' ' ' MET . 68.2 mt 77.33 85.29 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.453 0.644 . . . . 14.51 112.615 175.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -127.12 22.76 6.59 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.009 -1.848 . . . . 16.8 106.009 171.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -108.8 156.75 38.4 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 112.875 -1.966 . . . . 17.64 109.791 -176.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -75.8 151.73 36.33 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.21 1.94 . . . . 20.1 111.591 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.91 175.47 7.67 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.508 -0.769 . . . . 20.94 109.385 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 81' ' ' MET . 3.1 mm? -95.26 139.4 22.0 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.698 -0.482 . . . . 22.94 109.698 179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.532 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 26.1 Cg_exo -64.17 160.96 35.86 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 122.186 1.924 . . . . 23.54 110.444 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -60.24 124.59 15.52 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 121.658 1.572 . . . . 25.03 110.817 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.93 -25.92 26.46 Favored Glycine 0 C--N 1.314 -0.686 0 C-N-CA 120.304 -0.95 . . . . 26.59 113.697 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.532 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 80.6 m95 -92.21 141.88 28.09 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 117.883 0.842 . . . . 26.61 111.739 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -129.07 148.89 51.06 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.568 -0.53 . . . . 26.95 109.568 173.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.516 ' HB2' HD11 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -123.28 131.23 53.59 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.522 -0.548 . . . . 25.77 109.522 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -150.45 156.39 41.37 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 109.735 -0.469 . . . . 28.23 109.735 -177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -111.86 151.83 28.65 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 110.391 -0.225 . . . . 29.77 110.391 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 13.7 p -88.06 166.3 14.55 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 107.509 -1.293 . . . . 31.75 107.509 173.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.8 p -75.71 14.97 0.55 Allowed 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.253 0.478 . . . . 34.32 111.759 -177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -121.38 4.38 10.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.184 0.516 . . . . 35.43 109.686 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 83.04 15.42 72.42 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.586 -0.734 . . . . 31.3 112.913 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.1 t -88.76 138.33 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 31.86 110.327 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -96.02 114.99 26.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.858 -0.61 . . . . 28.74 110.96 -176.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -127.03 157.45 39.57 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.646 -0.502 . . . . 30.27 109.646 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -123.32 159.9 27.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 28.69 110.66 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 49.0 t -129.31 125.87 62.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.328 -0.396 . . . . 29.13 111.417 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.27 103.55 15.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.452 -1.314 . . . . 29.7 107.452 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -72.21 -14.14 61.72 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.513 0.597 . . . . 29.9 110.942 -175.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -76.98 -47.15 21.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.449 -0.341 . . . . 31.42 110.412 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.8 p -92.29 -16.87 25.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.591 0.234 . . . . 33.14 110.423 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 67.26 40.02 2.88 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 122.312 1.053 . . . . 35.29 109.862 177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 31.0 p -113.99 156.75 23.49 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.467 -1.697 . . . . 32.59 110.438 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.8 p -106.33 126.8 52.69 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 108.801 -0.814 . . . . 32.77 108.801 176.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.0 t -139.57 144.95 38.05 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 120.229 -0.588 . . . . 30.32 111.355 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -95.5 97.47 9.81 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.467 -0.938 . . . . 31.76 108.467 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -140.65 105.1 4.86 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.892 -0.595 . . . . 28.42 110.124 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -91.47 140.95 25.53 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 109.418 -0.586 . . . . 27.82 109.418 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -60.16 -23.55 74.11 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.43 2.087 . . . . 26.03 112.128 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.402 ' HB2' ' HD2' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -85.23 133.16 43.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 109.589 -0.523 . . . . 27.8 109.589 177.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.93 118.4 5.68 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 121.261 1.307 . . . . 29.2 111.611 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 78.73 -29.61 2.04 Favored Glycine 0 CA--C 1.526 0.719 0 CA-C-N 116.122 -0.49 . . . . 30.61 113.148 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.402 ' HD2' ' HB2' ' A' ' 105' ' ' ARG . 32.0 t80 47.66 68.17 0.7 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.29 0.636 . . . . 30.1 111.202 -178.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.427 -0.797 . . . . 32.01 108.968 177.676 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.57 -0.612 . . . . 4.75 111.57 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -113.15 -48.93 2.94 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.225 0.536 . . . . 2.45 109.671 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -107.24 147.58 30.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.644 -0.873 . . . . 2.5 108.644 177.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mmm -110.01 138.18 46.75 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.754 -0.378 . . . . 2.06 110.194 -177.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -80.47 116.37 20.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 1.9 110.634 177.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -102.63 146.87 27.54 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.717 -0.846 . . . . 0.83 108.717 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HB3' HG23 ' A' ' 54' ' ' THR . 56.6 tttm -117.11 140.84 49.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.368 -0.378 . . . . 2.57 111.084 -171.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 21.8 tp -124.48 144.57 50.02 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.736 -0.385 . . . . 0.33 110.285 174.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.4 mt -132.23 115.31 25.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.516 -0.766 . . . . 0.62 109.031 177.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.519 HD21 ' HE1' ' A' ' 36' ' ' TYR . 1.6 mm? -91.83 109.84 21.17 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.105 -0.702 . . . . 0.25 109.105 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -106.86 85.57 2.17 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.525 -0.917 . . . . 1.96 108.525 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.621 ' O ' ' HG3' ' A' ' 16' ' ' LYS . . . -146.35 144.41 12.74 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.284 -0.871 . . . . 0.91 111.129 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' ' 16' ' ' LYS . 84.4 mttt -54.91 -25.37 28.74 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 123.857 0.863 . . . . 3.26 113.223 -176.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.2 m -97.39 -40.52 8.67 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.29 -0.564 . . . . 1.93 110.549 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 15' ' ' LEU . 2.7 mm? -122.3 100.48 6.97 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 120.734 0.302 . . . . 1.8 111.456 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -113.68 116.88 30.14 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.521 -0.918 . . . . 2.49 108.521 173.803 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.55 -167.71 38.89 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.499 -0.857 . . . . 0.39 111.801 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -139.88 175.28 9.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.073 0.464 . . . . 1.69 110.984 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.1 t -170.26 157.6 6.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.254 -0.884 . . . . 0.58 109.561 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 p -130.49 160.67 33.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.357 -0.383 . . . . 0.38 110.968 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -151.94 149.25 28.72 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.807 -0.442 . . . . 0.38 109.807 177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.77 109.34 21.02 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.336 -0.616 . . . . 2.26 109.336 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -139.18 162.77 34.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.874 -0.417 . . . . 0.38 109.874 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 p -95.22 -46.82 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 O-C-N 122.226 -0.296 . . . . 1.09 111.572 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -103.29 156.94 17.36 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 122.076 -0.39 . . . . 2.13 110.54 -178.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.418 ' HB1' ' OH ' ' A' ' 55' ' ' TYR . . . -72.47 -42.43 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.949 -0.569 . . . . 0.59 110.576 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -35.53 76.95 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.022 -0.535 . . . . 0.48 110.751 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -70.62 -31.42 68.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.122 -0.49 . . . . 0.46 110.452 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.93 -33.09 63.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.729 -0.669 . . . . 0.28 110.235 -179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -63.25 -53.7 48.8 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.326 -0.62 . . . . 1.29 109.326 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -46.63 -43.92 17.9 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.627 -0.715 . . . . 2.42 112.759 -179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.38 -47.62 76.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.728 0.299 . . . . 0.3 111.067 -175.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.497 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 12.6 m-85 -71.82 -16.11 62.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.365 -0.379 . . . . 1.11 111.782 -178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -70.26 -40.11 74.58 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.146 -0.687 . . . . 1.09 109.146 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.534 ' HA ' ' OE1' ' A' ' 35' ' ' GLN . 1.6 tp60 -69.12 -41.86 76.81 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.353 -0.981 . . . . 2.2 108.353 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.519 ' HE1' HD21 ' A' ' 10' ' ' LEU . 71.2 t80 -58.47 -54.35 48.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 113.863 -1.517 . . . . 1.24 111.238 178.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.28 -25.33 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.207 0.527 . . . . 0.22 110.254 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -71.04 -31.5 67.97 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.791 -0.64 . . . . 1.39 109.7 178.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.66 -38.62 91.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.292 -0.867 . . . . 1.78 110.972 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.07 -16.39 23.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.499 -0.319 . . . . 1.78 111.132 179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.96 33.68 17.45 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.635 -0.793 . . . . 0.37 113.462 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.3 t -97.08 115.42 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 CA-C-O 121.235 0.54 . . . . 0.46 110.296 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -126.52 133.54 51.12 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.327 -0.852 . . . . 1.86 109.484 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.482 ' HA3' ' O ' ' A' ' 58' ' ' THR . . . 178.32 -170.91 43.2 Favored Glycine 0 N--CA 1.444 -0.826 0 N-CA-C 110.833 -0.907 . . . . 0.43 110.833 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -58.84 133.59 56.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.141 0.496 . . . . 2.79 110.591 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -102.92 102.59 12.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.86 -0.609 . . . . 0.41 109.942 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.526 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 6.4 p -97.7 156.7 16.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.212 -0.449 . . . . 0.63 111.148 -178.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 53' ' ' LYS . 17.2 t80 -151.28 147.97 27.62 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.774 -0.825 . . . . 1.18 108.774 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.29 150.37 42.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.678 -0.86 . . . . 2.07 108.678 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -87.55 -14.07 41.24 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 121.14 -0.224 . . . . 2.28 111.383 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.65 -44.81 13.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.461 0.541 . . . . 0.91 112.461 -176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.8 p -116.51 -2.27 12.04 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.72 1.007 . . . . 1.19 113.72 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.584 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.1 OUTLIER 58.85 42.09 20.34 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.869 0.843 . . . . 2.08 110.1 -178.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 7' ' ' LYS . 24.7 m -93.34 124.03 37.04 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.722 -1.126 . . . . 0.51 110.429 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 40.2 m-85 -100.48 129.7 46.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.89 -0.782 . . . . 1.19 108.89 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.526 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 99.3 m -129.07 131.59 47.33 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.881 0.372 . . . . 0.96 111.466 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.6 p -115.02 116.73 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.744 -0.836 . . . . 0.3 108.744 177.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.482 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 9.6 m -110.84 134.11 52.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.856 -0.611 . . . . 0.52 111.405 -175.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' HG3' ' CA ' ' A' ' 12' ' ' GLY . 13.1 mt-10 -91.26 153.3 20.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.71 -0.478 . . . . 2.56 109.71 178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.19 107.34 1.81 Allowed Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.37 -0.692 . . . . 2.32 111.37 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -134.27 -42.96 0.79 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 110.0 -0.37 . . . . 4.41 110.0 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.22 99.49 0.29 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.369 -0.919 . . . . 4.49 112.656 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.49 29.99 11.21 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.635 -0.793 . . . . 6.24 111.889 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.03 147.46 24.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.694 0.283 . . . . 6.29 110.902 -178.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.75 28.71 7.72 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.751 -0.738 . . . . 8.41 111.79 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.26 0.63 79.3 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.068 -0.587 . . . . 10.44 112.855 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -96.47 -67.8 0.83 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.639 -0.504 . . . . 12.25 109.639 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.65 -83.26 1.52 Allowed Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.053 -0.594 . . . . 11.72 112.799 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.56 ' HB2' ' HG3' ' A' ' 72' ' ' GLU . 19.8 ptm -75.03 116.32 15.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.62 0.248 . . . . 14.29 111.278 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.9 mt -141.29 -37.75 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.214 0.531 . . . . 14.51 110.005 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -85.39 20.34 2.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.32 -0.854 . . . . 16.8 110.36 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.56 ' HG3' ' HB2' ' A' ' 69' ' ' MET . 17.5 mm-40 -79.34 150.21 73.52 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.719 -0.673 . . . . 17.64 111.927 -176.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -80.28 -172.5 1.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.624 2.216 . . . . 20.1 111.64 175.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 71.07 177.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.323 -0.853 . . . . 20.94 111.852 179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 81' ' ' MET . 3.8 mm? -102.05 131.39 22.74 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.895 -0.593 . . . . 22.94 111.694 -178.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 75' ' ' LEU . 38.1 Cg_exo -68.74 158.03 59.43 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.377 2.051 . . . . 23.54 110.92 173.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -48.98 123.38 9.78 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.915 2.41 . . . . 25.03 113.021 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.78 -26.58 23.88 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 120.596 -0.811 . . . . 26.59 114.06 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -88.0 140.34 29.59 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 117.658 0.729 . . . . 26.61 111.571 -178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.64 ' HB2' ' HB ' ' A' ' 92' ' ' VAL . 63.2 mt-10 -120.49 139.63 52.61 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.757 -0.461 . . . . 26.95 109.757 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.531 ' HB2' HD11 ' A' ' 75' ' ' LEU . 47.9 ttm -115.32 120.59 40.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.938 -0.393 . . . . 25.77 109.938 177.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -145.33 152.75 40.39 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.495 -0.557 . . . . 28.23 109.495 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -113.5 151.92 30.86 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.308 -0.256 . . . . 29.77 110.308 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.4 p -83.61 174.35 10.62 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.786 -0.82 . . . . 31.75 108.786 176.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.9 m -73.99 4.74 5.0 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.12 0.785 . . . . 34.32 113.12 -175.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.695 ' HG3' HG23 ' A' ' 88' ' ' VAL . 10.0 pt-20 -121.7 5.79 10.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.829 0.347 . . . . 35.43 110.789 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.86 9.2 58.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.522 -0.847 . . . . 31.3 113.691 178.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.695 HG23 ' HG3' ' A' ' 86' ' ' GLU . 86.6 t -81.44 130.09 36.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 117.374 0.587 . . . . 31.86 109.857 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -91.66 121.0 32.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.755 -0.657 . . . . 28.74 110.441 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -127.74 154.34 45.48 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.612 -0.514 . . . . 30.27 109.612 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.475 ' HE1' ' HE2' ' A' ' 81' ' ' MET . 92.0 m-85 -116.19 155.13 28.83 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 120.889 0.376 . . . . 28.69 110.833 -178.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.64 ' HB ' ' HB2' ' A' ' 80' ' ' GLU . 37.1 t -132.87 127.88 56.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 29.13 111.243 -177.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.41 109.49 20.39 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 107.572 -1.269 . . . . 29.7 107.572 174.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -74.32 -25.83 59.79 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.066 -0.396 . . . . 29.9 111.853 -172.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.452 ' OD1' HG23 ' A' ' 96' ' ' THR . 5.8 p30 -71.84 -46.81 56.78 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.52 0.2 . . . . 31.42 111.459 -178.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.452 HG23 ' OD1' ' A' ' 95' ' ' ASN . 14.3 p -90.06 -12.71 37.68 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 122.175 -0.328 . . . . 33.14 110.783 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 57.7 62.94 1.95 Allowed 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 122.198 0.999 . . . . 35.29 110.466 -177.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.0 p -135.95 154.7 51.02 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 113.514 -1.676 . . . . 32.59 110.55 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.5 p -108.64 137.22 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.057 -0.72 . . . . 32.77 109.057 177.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.0 t -146.42 133.71 20.62 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 120.125 -0.63 . . . . 30.32 111.635 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -89.95 99.62 12.6 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.179 -0.919 . . . . 31.76 109.125 175.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -129.19 154.82 46.4 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.843 -0.799 . . . . 28.42 108.843 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -75.2 146.78 82.29 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.124 -0.324 . . . . 27.82 110.124 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -55.04 -34.39 86.93 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.785 2.323 . . . . 26.03 110.869 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -111.33 122.79 36.66 Favored Pre-proline 0 N--CA 1.447 -0.606 0 N-CA-C 107.899 -1.148 . . . . 27.8 107.899 174.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -62.96 122.77 11.16 Favored 'Trans proline' 0 C--O 1.238 0.508 0 C-N-CA 121.922 1.748 . . . . 29.2 112.72 -173.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 86.39 -28.46 5.23 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.82 -0.627 . . . . 30.61 112.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.3 t80 55.18 56.71 6.19 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 109.061 -0.718 . . . . 30.1 109.061 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-N 115.485 -0.78 . . . . 32.01 110.488 -175.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.229 -0.348 . . . . 4.75 112.229 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.3 p 56.74 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.26 1.024 . . . . 2.45 113.134 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -91.66 155.09 18.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 2.5 109.27 177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -122.74 136.48 54.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.322 -0.251 . . . . 2.06 110.322 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.422 ' OE1' ' HB ' ' A' ' 20' ' ' THR . 4.3 tp-100 -88.57 118.69 28.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.9 110.058 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -114.86 149.74 36.65 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.727 -0.842 . . . . 0.83 108.727 177.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HG3' ' OG1' ' A' ' 54' ' ' THR . 10.3 pttt -123.65 161.85 24.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.137 0.494 . . . . 2.57 111.257 178.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' TYR . 15.5 tp -141.29 141.72 33.92 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.022 -0.99 . . . . 0.33 109.724 -177.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.1 mt -121.37 112.36 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.648 -0.871 . . . . 0.62 108.648 178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -83.71 102.01 11.96 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 109.379 -0.6 . . . . 0.25 109.379 -179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -97.4 82.36 3.11 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 108.224 -1.028 . . . . 1.96 108.224 178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.69 121.92 2.14 Favored Glycine 0 N--CA 1.437 -1.271 0 N-CA-C 109.959 -1.256 . . . . 0.91 109.959 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -58.8 -13.47 6.22 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 112.288 0.477 . . . . 3.26 112.288 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.3 m -80.98 -38.07 28.21 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.057 0.456 . . . . 1.93 110.308 177.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.4 tm? -157.01 117.32 3.54 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 108.632 -0.877 . . . . 1.8 108.632 -178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.514 ' HE2' ' HB2' ' A' ' 16' ' ' LYS . 1.1 mppt? -111.6 141.37 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.915 0.388 . . . . 2.49 110.066 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.417 ' C ' ' HG3' ' A' ' 18' ' ' GLU . . . 178.89 -177.72 48.55 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.058 -0.591 . . . . 0.39 111.737 -176.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.417 ' HG3' ' C ' ' A' ' 17' ' ' GLY . 5.1 mt-10 -143.79 165.77 26.76 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.347 -0.612 . . . . 1.69 109.347 -179.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.52 HG21 ' CE2' ' A' ' 36' ' ' TYR . 13.4 t -169.4 168.64 9.42 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.703 -0.399 . . . . 0.58 111.455 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.422 ' HB ' ' OE1' ' A' ' 5' ' ' GLN . 17.6 p -134.29 158.62 43.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.86 -0.609 . . . . 0.38 110.354 178.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -156.75 151.15 25.38 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.92 -0.4 . . . . 0.38 109.92 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -92.12 130.54 37.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.597 -0.519 . . . . 2.26 109.597 179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -145.0 158.7 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 0.38 109.544 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.1 m -103.91 6.63 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.936 -0.306 . . . . 1.09 111.626 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -165.36 160.23 17.92 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.616 -0.513 . . . . 2.13 109.616 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.29 -46.59 60.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.355 -0.384 . . . . 0.59 111.386 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 -25.05 67.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.094 0.473 . . . . 0.48 110.831 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 m -75.15 -27.75 59.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.914 -0.585 . . . . 0.46 110.694 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.24 -38.59 60.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.28 110.117 -177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 5.5 tt0 -55.07 -59.74 4.34 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.108 -0.951 . . . . 1.29 110.136 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -51.32 -38.65 54.14 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.374 -0.83 . . . . 2.42 112.257 -177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.9 t -75.73 -56.14 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.747 0.308 . . . . 0.3 111.058 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.445 ' HA ' ' HB3' ' A' ' 36' ' ' TYR . 0.7 OUTLIER -60.8 -24.98 66.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.283 -0.417 . . . . 1.11 112.041 -179.534 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.641 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 32.9 mtpt -70.22 -39.65 74.98 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.053 -0.404 . . . . 1.09 110.721 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -71.05 -31.04 67.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.772 -0.825 . . . . 2.2 108.772 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.52 ' CE2' HG21 ' A' ' 19' ' ' THR . 20.2 t80 -63.6 -52.83 59.2 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.881 -1.054 . . . . 1.24 109.954 176.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 42' ' ' VAL . . . -64.63 -34.8 79.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.37 -0.832 . . . . 0.22 110.3 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.61 -40.4 91.71 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.415 -0.812 . . . . 1.39 111.321 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.02 -27.77 69.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.416 . . . . 1.78 111.024 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -95.18 -3.73 47.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 1.78 110.695 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.15 24.31 71.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.02 -0.609 . . . . 0.37 112.469 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.483 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 91.1 t -104.92 100.39 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-O 121.254 0.55 . . . . 0.46 110.531 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -133.75 134.85 43.47 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.543 -0.753 . . . . 1.86 109.527 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -173.68 -168.97 35.44 Favored Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.102 -0.799 . . . . 0.43 111.102 -175.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.19 141.1 55.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 2.79 110.93 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.641 ' CZ2' ' HG2' ' A' ' 34' ' ' LYS . 7.2 m95 -113.5 125.36 54.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.305 0.574 . . . . 0.41 111.552 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.505 ' OG1' ' HB ' ' A' ' 56' ' ' THR . 11.7 p -124.55 156.04 38.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.569 -0.741 . . . . 0.63 109.854 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -139.39 140.26 37.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.899 -0.32 . . . . 1.18 111.072 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.738 ' OD1' ' HB ' ' A' ' 54' ' ' THR . 2.9 p30 -117.52 146.34 43.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.798 -0.816 . . . . 2.07 108.798 178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -92.77 -28.28 16.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.524 0.678 . . . . 2.28 109.179 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.09 -36.46 77.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.98 -1.009 . . . . 0.91 112.546 -177.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.638 HG23 ' OG1' ' A' ' 54' ' ' THR . 15.0 t -130.95 17.21 5.13 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 119.92 -0.712 . . . . 1.19 112.292 -178.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 mptt 43.45 39.83 2.42 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 121.418 0.628 . . . . 2.08 110.407 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.738 ' HB ' ' OD1' ' A' ' 49' ' ' ASP . 83.8 m -107.09 125.26 50.83 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.429 -0.805 . . . . 0.51 112.351 -174.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 36.5 m-85 -89.72 130.1 36.04 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.512 -0.767 . . . . 1.19 109.136 176.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.505 ' HB ' ' OG1' ' A' ' 47' ' ' THR . 9.1 m -119.82 117.01 27.04 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.837 -0.345 . . . . 0.96 110.624 -179.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.1 p -105.57 127.54 60.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 107.679 -1.23 . . . . 0.3 107.679 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.7 m -121.87 115.21 22.2 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.966 -0.561 . . . . 0.52 111.62 -175.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.96 90.08 0.3 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.901 -1.045 . . . . 2.56 110.925 177.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.83 108.28 2.26 Favored Glycine 0 C--N 1.336 0.552 0 C-N-CA 120.032 -1.08 . . . . 2.32 111.212 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.5 p -143.9 -67.97 0.33 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.053 -0.351 . . . . 4.41 110.053 -177.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.13 163.48 22.15 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.441 -0.664 . . . . 4.49 111.441 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -117.21 -39.39 0.8 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.688 -0.767 . . . . 6.24 111.53 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.38 94.05 5.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.723 0.297 . . . . 6.29 110.263 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.74 -20.7 74.43 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.913 -0.585 . . . . 8.41 112.941 -178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.74 -36.7 61.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.448 -0.882 . . . . 10.44 112.211 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 58.69 -80.64 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.708 0.803 . . . . 12.25 111.806 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.65 -21.68 5.02 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.93 -0.652 . . . . 11.72 112.457 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 67.1 mtt 58.91 31.87 21.71 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.134 0.492 . . . . 14.29 110.658 -178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 81.1 mt -132.82 85.58 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 109.271 -0.64 . . . . 14.51 109.271 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.4 12.3 29.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.372 0.606 . . . . 16.8 109.596 179.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -73.82 132.14 80.83 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.365 -0.834 . . . . 17.64 110.686 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -81.95 -171.42 1.19 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.193 2.595 . . . . 20.1 112.935 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 71.8 106.39 0.07 Allowed 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 114.658 -1.155 . . . . 20.94 111.512 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.62 155.34 38.69 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.4 -0.818 . . . . 22.94 109.817 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.582 ' HD2' ' HB2' ' A' ' 79' ' ' TRP . 14.4 Cg_exo -75.07 159.97 40.49 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.126 1.884 . . . . 23.54 110.523 177.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -62.58 129.06 25.2 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 121.878 1.719 . . . . 25.03 110.974 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 99.24 -27.55 19.53 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 120.667 -0.778 . . . . 26.59 113.044 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.582 ' HB2' ' HD2' ' A' ' 76' ' ' PRO . 74.4 m95 -90.69 142.05 28.15 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 117.303 0.551 . . . . 26.61 110.987 -179.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.629 ' HB3' ' HB ' ' A' ' 92' ' ' VAL . 10.4 tp10 -123.56 146.37 48.17 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.85 -0.426 . . . . 26.95 109.85 178.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.9 ttt -129.1 128.08 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.561 -0.29 . . . . 25.77 110.387 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -149.98 160.2 43.8 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.173 -0.677 . . . . 28.23 109.173 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -106.43 150.79 25.7 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.723 0.297 . . . . 29.77 111.303 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 25.2 p -86.53 -173.7 4.64 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.391 -0.596 . . . . 31.75 109.391 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -85.53 10.95 11.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.944 0.402 . . . . 34.32 111.835 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -120.67 0.18 10.35 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.177 -0.465 . . . . 35.43 109.776 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 88.68 18.58 54.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.986 -0.626 . . . . 31.3 112.762 -178.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.1 t -95.77 130.6 44.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.032 0.444 . . . . 31.86 111.323 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.639 ' HE ' ' HE1' ' A' ' 91' ' ' PHE . 52.7 ttt180 -79.76 116.57 20.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.65 -0.704 . . . . 28.74 110.806 179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -121.49 158.7 27.86 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 109.487 -0.56 . . . . 30.27 109.487 178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.639 ' HE1' ' HE ' ' A' ' 89' ' ' ARG . 22.7 m-30 -115.56 155.87 26.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.212 0.529 . . . . 28.69 111.343 -176.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 80' ' ' GLU . 9.6 t -125.95 104.44 13.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.604 -0.725 . . . . 29.13 109.535 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -75.93 122.37 24.06 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.871 -1.159 . . . . 29.7 107.871 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 80' ' ' GLU . 35.1 m80 -81.55 -22.33 37.91 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 113.509 0.929 . . . . 29.9 113.509 -173.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -79.91 -29.83 39.93 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 120.247 -0.581 . . . . 31.42 111.229 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.3 p -99.56 -26.96 13.92 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.91 -0.404 . . . . 33.14 109.91 176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 67.02 44.09 2.03 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 122.543 1.163 . . . . 35.29 110.021 178.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.46 146.47 46.22 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 112.644 -2.071 . . . . 32.59 109.474 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 p -83.36 112.37 19.85 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.475 -0.565 . . . . 32.77 109.475 178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.1 m -105.16 152.56 22.66 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 120.973 0.416 . . . . 30.32 110.857 -175.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.63 153.48 17.7 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.74 0.781 . . . . 31.76 111.182 175.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' HA ' ' CE2' ' A' ' 91' ' ' PHE . 18.8 ptpt -51.78 157.63 1.15 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 113.775 -1.557 . . . . 28.42 112.145 -177.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.13 110.61 0.74 Allowed Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 114.566 -1.197 . . . . 27.82 111.886 -177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -69.06 -46.87 1.32 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.31 2.007 . . . . 26.03 111.738 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 105' ' ' ARG . 3.3 mpt_? -112.93 115.11 48.64 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.738 -0.665 . . . . 27.8 109.312 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -50.98 118.79 4.56 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 121.589 1.526 . . . . 29.2 111.815 178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.86 -33.76 4.32 Favored Glycine 0 CA--C 1.525 0.681 0 CA-C-O 119.002 -0.888 . . . . 30.61 112.817 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.9 p90 30.59 66.83 0.13 Allowed 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.569 0.747 . . . . 30.1 112.522 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.722 -0.656 . . . . 32.01 109.591 -177.556 . . . . . . . . 0 0 . 1 stop_ save_