data_2kuy_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kuy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.49 ' HB2' ' CZ2' ' A' ' 6' ' ' TRP . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.817 0.341 . . . . 4.1799999999999997 111.225 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CZ3' ' SG ' ' A' ' 5' ' ' CYS . 6.5 p-90 -114.68 -26.53 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 6.8399999999999999 111.131 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.416 ' SG ' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -62.5 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 1.8500000000000001 110.906 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.49 ' CZ2' ' HB2' ' A' ' 3' ' ' ALA . 66.2 p-90 -49.78 -32.49 14.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.366 -0.379 . . . . 5.0199999999999996 110.779 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.55 -47.85 78.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 3.6299999999999999 109.864 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 m -57.19 -33.66 67.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.556 -0.747 . . . . 1.8799999999999999 110.051 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.7 mm? -80.06 -40.29 27.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 2.6099999999999999 111.284 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -50.94 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 1.4299999999999999 111.249 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -25.3 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 3.6200000000000001 110.945 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -67.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 2.2000000000000002 110.724 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.84 -63.25 0.28 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.746 -0.74 . . . . 3.3900000000000001 112.511 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.36 44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 4.7599999999999998 111.069 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.81 154.16 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.73 -0.748 . . . . 3.6600000000000001 112.573 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -125.41 16.83 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 7.71 111.445 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.17 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 2.9199999999999999 110.809 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -79.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 3.7799999999999998 111.086 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.14 -76.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.57 -0.824 . . . . 1.0 112.801 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -53.91 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 1.6399999999999999 111.149 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 37.7 m -52.66 -67.13 0.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 1.24 111.456 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -45.63 -27.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 1.6699999999999999 111.657 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -91.56 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.538 -0.301 . . . . 2.2999999999999998 111.232 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -44.57 69.05 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.385 -0.371 . . . . 4.2800000000000002 111.281 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.436 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 8.0 t80 -56.83 -64.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.078 0.466 . . . . 3.3399999999999999 110.623 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -46.43 -53.89 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.5900000000000001 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -59.56 -36.41 76.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 2.8999999999999999 110.82 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -33.13 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.02 110.751 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 3.3500000000000001 110.788 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.78 0.324 . . . . 4.1799999999999997 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 6.8 p-90 -111.8 34.28 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 6.8399999999999999 110.975 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.3 m -52.66 -68.77 0.14 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.8500000000000001 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -49.76 -30.57 9.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.977 0.418 . . . . 5.0199999999999996 110.498 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -49.2 73.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.575 . . . . 3.6299999999999999 109.57 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 m -55.91 -35.65 66.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 1.8799999999999999 109.779 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.4 mm? -72.15 -42.91 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 2.6099999999999999 110.902 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -50.53 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.4299999999999999 111.124 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -22.91 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 3.6200000000000001 111.087 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.57 170.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 2.2000000000000002 111.036 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.6 51.86 3.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 3.3900000000000001 112.615 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 69.63 -69.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 4.7599999999999998 111.096 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.49 -179.3 10.23 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.604 -0.808 . . . . 3.6600000000000001 112.428 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -118.07 174.49 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 7.71 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.0 t0 60.68 65.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 2.9199999999999999 111.055 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.71 -42.86 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 3.7799999999999998 111.015 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.63 -85.62 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.64 -0.79 . . . . 1.0 112.747 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -34.42 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.6399999999999999 111.032 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -51.08 -67.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 1.24 111.248 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -26.39 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 1.6699999999999999 111.648 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -82.09 -73.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 2.2999999999999998 111.152 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.445 ' SD ' ' CZ3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -50.26 -53.19 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 4.2800000000000002 111.256 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 2.8 t80 -52.03 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 3.3399999999999999 111.066 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -62.03 1.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.5900000000000001 111.198 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -46.19 18.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 2.8999999999999999 111.506 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -52.05 -31.59 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 1.02 111.13 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 3.3500000000000001 110.943 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.865 0.364 . . . . 4.1799999999999997 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -2.55 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 6.8399999999999999 112.008 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.0 m -60.26 -72.52 0.11 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.782 0.325 . . . . 1.8500000000000001 111.083 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.489 ' CZ2' ' CE2' ' A' ' 7' ' ' TYR . 64.1 p-90 -48.45 -35.46 12.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.779 0.323 . . . . 5.0199999999999996 111.188 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CE2' ' CZ2' ' A' ' 6' ' ' TRP . 0.8 OUTLIER -49.77 -53.5 24.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.984 0.421 . . . . 3.6299999999999999 110.535 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.437 HG21 ' CG2' ' A' ' 20' ' ' THR . 6.5 m -59.07 -33.09 70.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.636 . . . . 1.8799999999999999 110.391 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.43 ' N ' HD21 ' A' ' 9' ' ' LEU . 4.0 mm? -74.49 -41.82 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 2.6099999999999999 111.324 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.77 88.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 1.4299999999999999 111.19 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.6 mtp -64.31 -27.25 68.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 3.6200000000000001 111.021 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -74.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 2.2000000000000002 110.823 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.75 -27.39 18.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 3.3900000000000001 112.582 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.1 -44.95 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 4.7599999999999998 111.137 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.66 24.68 7.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 3.6600000000000001 112.455 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -177.86 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 7.71 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -91.51 49.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 2.9199999999999999 110.793 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.2 t -49.58 -54.11 20.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 3.7799999999999998 111.056 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.48 -58.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.601 -0.809 . . . . 1.0 112.819 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.437 ' CG2' HG21 ' A' ' 8' ' ' THR . 0.2 OUTLIER -80.74 -45.26 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 1.6399999999999999 111.175 -179.649 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 22.0 m -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 1.24 111.468 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.16 -38.68 83.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.6699999999999999 111.774 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.69 -71.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 2.2999999999999998 111.587 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -46.36 -49.27 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 4.2800000000000002 111.539 -179.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 21.7 t80 -55.78 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 3.3399999999999999 110.898 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -49.64 -30.25 8.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 1.5900000000000001 111.177 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -75.6 -54.51 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 2.8999999999999999 110.946 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.62 -36.01 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.02 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 3.3500000000000001 110.92 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.832 0.349 . . . . 4.1799999999999997 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -27.61 65.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 6.8399999999999999 110.508 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.0 m -52.91 -60.33 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 1.8500000000000001 110.889 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -69.08 -30.15 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 5.0199999999999996 110.813 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.0 -54.33 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 3.6299999999999999 110.914 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -64.55 -43.08 95.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.438 . . . . 1.8799999999999999 110.498 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.7 -39.66 89.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 2.6099999999999999 110.841 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.45 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.4299999999999999 111.054 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.39 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 3.6200000000000001 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.5 153.42 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 2.2000000000000002 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -66.77 0.39 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 3.3900000000000001 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.1 175.3 6.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 4.7599999999999998 111.169 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.88 24.75 30.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 3.6600000000000001 112.476 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' SER . 24.6 m-85 -96.91 170.05 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 7.71 110.984 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.9 78.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 2.9199999999999999 110.831 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.2 t -72.52 -63.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 3.7799999999999998 110.74 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.42 -60.03 0.1 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.61 -0.805 . . . . 1.0 112.632 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' MET . 1.7 m -100.9 -37.25 8.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.806 0.336 . . . . 1.6399999999999999 111.226 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 18.7 m -48.91 -50.63 34.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.368 -0.378 . . . . 1.24 111.253 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.44 62.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 1.6699999999999999 111.767 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.75 -64.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 2.2999999999999998 111.038 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -54.12 -49.46 69.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 4.2800000000000002 111.188 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 8.5 t80 -55.01 -67.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 3.3399999999999999 111.233 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.16 -53.99 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 1.5900000000000001 111.702 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -60.4 -25.84 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 2.8999999999999999 111.362 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -86.02 -58.4 2.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.38 -0.373 . . . . 1.02 110.998 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 3.3500000000000001 110.904 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 4.1799999999999997 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -37.38 86.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 6.8399999999999999 111.03 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.94 -31.98 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 1.8500000000000001 111.037 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 5.0199999999999996 110.704 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -69.83 -41.27 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 3.6299999999999999 110.502 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 m -59.47 -42.03 91.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 1.8799999999999999 110.751 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 HD22 ' CA ' ' A' ' 25' ' ' TYR . 2.1 mm? -83.58 -46.4 12.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 2.6099999999999999 111.373 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.08 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.373 . . . . 1.4299999999999999 111.224 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.8 mmm -83.7 -48.49 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 3.6200000000000001 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -50.0 53.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 2.2000000000000002 110.984 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.87 18.9 10.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 3.3900000000000001 112.572 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 68.44 151.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 4.7599999999999998 111.146 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.37 67.94 1.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 3.6600000000000001 112.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -162.18 163.26 28.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 7.71 110.892 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -161.27 53.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 2.9199999999999999 110.989 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -34.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 3.7799999999999998 110.892 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.67 -83.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.599 -0.81 . . . . 1.0 112.804 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' MET . 0.2 OUTLIER -66.66 -42.75 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 1.6399999999999999 111.29 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.7 m -45.5 -52.02 10.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 1.24 111.509 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.61 -42.45 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.446 -0.343 . . . . 1.6699999999999999 111.435 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -66.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.511 -0.313 . . . . 2.2999999999999998 111.324 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -48.58 -31.71 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 4.2800000000000002 110.87 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.41 ' CA ' HD22 ' A' ' 9' ' ' LEU . 50.1 t80 -63.46 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 3.3399999999999999 110.398 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -36.9 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.559 . . . . 1.5900000000000001 110.96 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -51.59 -31.81 26.24 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.549 0.69 . . . . 2.8999999999999999 109.251 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 6.4 t -100.21 -25.94 14.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.842 -1.072 . . . . 1.02 109.37 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 32.0 t80 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-N 115.416 -0.811 . . . . 3.3500000000000001 111.306 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.426 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.893 0.378 . . . . 4.1799999999999997 111.163 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.21 58.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 6.8399999999999999 111.511 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.2 m -53.35 -77.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.919 0.39 . . . . 1.8500000000000001 111.162 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.498 ' CD2' ' N ' ' A' ' 7' ' ' TYR . 65.0 p-90 -45.99 -44.3 14.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 5.0199999999999996 111.36 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.498 ' N ' ' CD2' ' A' ' 6' ' ' TRP . 8.6 t80 -45.84 -50.23 14.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.34 -0.391 . . . . 3.6299999999999999 111.014 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m -58.33 -36.66 73.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 1.8799999999999999 110.434 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.476 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 3.9 mp -76.67 -45.92 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 2.6099999999999999 111.523 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.83 -57.26 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 1.4299999999999999 111.468 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 mtt -77.24 -14.06 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 3.6200000000000001 111.485 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 t -48.63 151.97 1.05 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.053 0.454 . . . . 2.2000000000000002 111.179 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.35 73.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.004 -0.617 . . . . 3.3900000000000001 111.789 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 75.56 69.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 4.7599999999999998 110.517 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.82 122.97 5.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.043 -0.599 . . . . 3.6600000000000001 113.187 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 172.12 86.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 7.71 110.831 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 48.68 48.78 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 2.9199999999999999 111.042 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 t -99.17 -69.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 3.7799999999999998 110.997 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.9 -88.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.535 -0.84 . . . . 1.0 112.89 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.34 -40.07 58.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 1.6399999999999999 111.235 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 21.8 m -50.8 -69.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 1.24 111.382 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -50.75 -30.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.386 . . . . 1.6699999999999999 111.609 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.1 -73.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 2.2999999999999998 111.413 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.03 -49.45 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 4.2800000000000002 111.14 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 65.6 t80 -51.36 -69.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 3.3399999999999999 110.772 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -47.29 -53.59 13.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.707 -0.678 . . . . 1.5900000000000001 111.173 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -51.48 -60.18 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 2.8999999999999999 110.829 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 t -56.23 -44.42 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 1.02 110.803 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 3.3500000000000001 110.727 179.853 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.722 0.296 . . . . 4.1799999999999997 111.314 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.441 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 18.1 p-90 -101.95 27.66 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 6.8399999999999999 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -61.71 -61.66 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 1.8500000000000001 110.68 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.528 ' CE3' ' N ' ' A' ' 7' ' ' TYR . 49.4 p-90 -48.5 -34.73 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 5.0199999999999996 110.741 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -53.34 -57.56 10.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 3.6299999999999999 109.848 179.192 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m -49.49 -32.79 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.56 -0.745 . . . . 1.8799999999999999 110.255 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm? -81.11 -38.59 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 2.6099999999999999 110.898 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.94 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 1.4299999999999999 111.119 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.4 ptm -78.3 0.83 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 3.6200000000000001 111.73 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.87 -58.07 3.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.844 0.354 . . . . 2.2000000000000002 110.951 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.34 31.78 7.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 3.3900000000000001 112.495 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 67.14 69.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 4.7599999999999998 111.025 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.14 129.61 5.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.85 -0.691 . . . . 3.6600000000000001 112.386 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -82.45 106.2 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 7.71 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t0 53.33 84.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 2.9199999999999999 110.856 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 t -112.07 -34.44 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 3.7799999999999998 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.8 -86.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.549 -0.834 . . . . 1.0 112.817 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' MET . 0.2 OUTLIER -78.46 -29.22 46.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.895 0.379 . . . . 1.6399999999999999 110.974 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -49.03 -69.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 1.24 111.296 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -35.2 62.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 1.6699999999999999 111.87 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -77.97 -73.0 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.646 0.26 . . . . 2.2999999999999998 111.526 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.441 ' SD ' ' CZ3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -46.56 -43.24 16.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 4.2800000000000002 111.304 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 70.7 t80 -49.05 -76.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.056 0.455 . . . . 3.3399999999999999 110.56 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -54.27 -33.63 59.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 1.5900000000000001 110.442 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -52.78 -40.74 63.47 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.371 -0.603 . . . . 2.8999999999999999 109.371 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 7.2 t -86.76 -25.34 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.084 -0.962 . . . . 1.02 109.429 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 76.8 t80 . . . . . 0 CA--C 1.521 -0.156 0 CA-C-N 115.537 -0.756 . . . . 3.3500000000000001 111.598 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.778 0.323 . . . . 4.1799999999999997 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.408 ' CZ3' ' HB3' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -46.63 -27.21 1.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 6.8399999999999999 111.31 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.3 p -50.39 -41.31 51.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 1.8500000000000001 111.355 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -58.12 -43.68 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.758 0.313 . . . . 5.0199999999999996 110.795 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.408 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -58.03 -35.01 70.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 3.6299999999999999 110.5 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -62.26 -38.54 89.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.8799999999999999 109.821 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD11 ' CG ' ' A' ' 25' ' ' TYR . 3.6 mm? -74.95 -40.54 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 2.6099999999999999 111.008 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.0 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 1.4299999999999999 111.184 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.0 mmm -110.13 26.43 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 3.6200000000000001 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -61.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 2.2000000000000002 110.95 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.02 35.4 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 3.3900000000000001 112.581 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.36 172.44 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 4.7599999999999998 111.079 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 16' ' ' TYR . . . -54.79 -50.0 59.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.831 -0.699 . . . . 3.6600000000000001 112.576 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 5.6 t80 171.53 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.263 0.554 . . . . 7.71 111.004 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.95 69.17 1.03 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.339 -0.846 . . . . 2.9199999999999999 111.059 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.24 -50.28 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 3.7799999999999998 110.758 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.42 -65.73 0.13 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.686 -0.768 . . . . 1.0 112.72 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -45.61 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 1.6399999999999999 111.053 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 51.6 m -46.33 -64.51 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 1.24 111.415 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.07 -27.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.403 . . . . 1.6699999999999999 111.578 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -69.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 2.2999999999999998 111.085 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -42.27 64.76 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.194 -0.457 . . . . 4.2800000000000002 111.406 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.478 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.0 t80 -62.07 -68.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 3.3399999999999999 111.056 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -38.55 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 1.5900000000000001 111.223 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -72.76 -54.08 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 2.8999999999999999 111.197 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -59.5 -57.55 12.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 1.02 111.254 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 3.3500000000000001 111.266 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.864 0.364 . . . . 4.1799999999999997 110.748 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -22.88 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 6.8399999999999999 111.676 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.4 p -45.98 -51.48 13.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.611 0.244 . . . . 1.8500000000000001 111.431 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -37.85 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 5.0199999999999996 110.58 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -41.96 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 3.6299999999999999 110.564 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -61.23 -36.67 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.8799999999999999 110.119 179.653 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.448 ' N ' HG22 ' A' ' 8' ' ' THR . 8.5 mp -67.25 -35.9 80.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.635 . . . . 2.6099999999999999 110.633 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.97 92.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 1.4299999999999999 110.636 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mtm -82.43 -17.4 45.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 3.6200000000000001 111.075 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.09 172.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.586 -0.279 . . . . 2.2000000000000002 111.18 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.84 -68.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 3.3900000000000001 112.508 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 4.7599999999999998 111.097 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.37 -124.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 3.6600000000000001 112.586 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -109.94 150.79 27.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 7.71 110.998 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 63.42 83.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 2.9199999999999999 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -125.91 -59.67 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.482 . . . . 3.7799999999999998 110.931 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.34 -73.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 1.0 112.636 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -58.26 4.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.723 0.297 . . . . 1.6399999999999999 111.081 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.08 -51.4 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.24 111.568 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -69.42 -54.57 13.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.389 . . . . 1.6699999999999999 111.169 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -57.18 -68.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 2.2999999999999998 111.631 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -62.41 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 4.2800000000000002 111.417 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -51.18 -63.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 3.3399999999999999 111.113 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 72.2 m -43.51 -52.35 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 1.5900000000000001 111.741 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.43 -31.53 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 2.8999999999999999 111.26 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.5 -27.04 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.778 0.323 . . . . 1.02 110.93 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 3.3500000000000001 111.097 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.878 0.37 . . . . 4.1799999999999997 110.804 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -44.41 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 6.8399999999999999 111.103 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.82 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.8500000000000001 111.004 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -47.47 -38.69 14.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.391 -0.368 . . . . 5.0199999999999996 110.979 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.92 -52.4 57.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 3.6299999999999999 110.471 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 24' ' ' MET . 12.4 m -57.67 -27.36 62.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 1.8799999999999999 110.367 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -79.1 -55.98 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 2.6099999999999999 110.553 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.98 -31.07 2.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 1.4299999999999999 111.537 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -27.04 29.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 3.6200000000000001 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LEU . 52.9 t -55.03 155.19 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 2.2000000000000002 111.04 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.77 74.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.941 -0.647 . . . . 3.3900000000000001 112.298 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.1 40.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 4.7599999999999998 111.267 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.08 -156.61 6.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 3.6600000000000001 112.683 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.46 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 7.3 p90 -49.85 141.98 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 7.71 110.924 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 50.91 44.97 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 2.9199999999999999 110.744 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.3 m -49.0 -28.14 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 3.7799999999999998 111.172 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.56 -37.36 3.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.747 . . . . 1.0 111.988 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.432 HG21 ' CG2' ' A' ' 8' ' ' THR . 0.5 OUTLIER -91.0 -42.75 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 1.6399999999999999 110.534 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.1 m -66.42 -51.03 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 1.24 110.534 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -55.56 -42.17 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 1.6699999999999999 110.646 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -56.2 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 2.2999999999999998 110.483 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.435 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.77 -64.1 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.487 . . . . 4.2800000000000002 111.171 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -47.91 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.691 -0.686 . . . . 3.3399999999999999 111.612 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -34.67 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 1.5900000000000001 111.635 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -83.04 -68.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 2.8999999999999999 111.563 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' MET . 1.8 t -45.85 -43.68 13.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 1.02 111.316 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 14.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 3.3500000000000001 111.037 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.762 0.315 . . . . 4.1799999999999997 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -36.43 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 6.8399999999999999 110.458 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.5 m -67.77 -51.26 51.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.8500000000000001 110.613 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 5.0199999999999996 110.914 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 7.8 t80 -67.97 -44.95 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 3.6299999999999999 110.514 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 m -61.26 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.8799999999999999 110.491 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.477 HD21 ' CE2' ' A' ' 25' ' ' TYR . 9.1 mp -73.02 -36.93 67.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 2.6099999999999999 111.045 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.97 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.4299999999999999 111.252 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mmt -115.37 39.35 2.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 3.6200000000000001 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.64 -85.78 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.292 -0.413 . . . . 2.2000000000000002 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.95 31.42 7.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 3.3900000000000001 112.681 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.5 173.54 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 4.7599999999999998 111.206 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.14 -146.38 20.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.805 -0.712 . . . . 3.6600000000000001 112.507 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -48.71 129.18 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 7.71 110.985 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.49 64.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 2.9199999999999999 110.766 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.1 m -50.14 -31.02 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 3.7799999999999998 111.05 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.26 -50.18 1.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 1.0 112.459 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -50.44 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 1.6399999999999999 110.818 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 9.7 m -62.28 -54.54 39.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 1.24 111.061 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -25.15 1.78 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.32 -0.4 . . . . 1.6699999999999999 111.383 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -95.94 -59.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 2.2999999999999998 111.382 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -45.19 86.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 4.2800000000000002 111.129 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CE2' HD21 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -58.15 -62.55 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 3.3399999999999999 110.837 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -31.47 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.605 . . . . 1.5900000000000001 111.267 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.05 -29.53 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 2.8999999999999999 111.208 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.08 -31.86 63.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 1.02 110.958 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 3.3500000000000001 110.889 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.723 0.296 . . . . 4.1799999999999997 111.199 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.446 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 16.4 p-90 -108.26 31.77 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 6.8399999999999999 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.91 -59.36 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.8500000000000001 110.697 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -51.64 -34.98 40.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.024 0.44 . . . . 5.0199999999999996 110.386 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -56.74 -44.07 81.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.874 -0.603 . . . . 3.6299999999999999 109.869 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -57.32 -39.0 74.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.658 -0.701 . . . . 1.8799999999999999 110.174 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 25' ' ' TYR . 6.9 mp -69.86 -48.03 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 2.6099999999999999 110.932 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -25.86 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 1.4299999999999999 111.098 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -24.0 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 3.6200000000000001 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 179.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 2.2000000000000002 110.993 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 56.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 3.3900000000000001 112.377 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.19 36.96 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.317 . . . . 4.7599999999999998 111.178 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.54 -135.84 18.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.811 -0.709 . . . . 3.6600000000000001 112.633 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -55.6 149.72 13.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 7.71 110.931 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t70 51.22 68.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 2.9199999999999999 110.913 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -50.86 -46.85 60.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 3.7799999999999998 110.827 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.41 -45.61 1.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 1.0 112.634 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.23 -62.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.734 0.302 . . . . 1.6399999999999999 111.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' TYR . 24.3 m -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 1.24 110.963 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.76 -17.03 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.86 -0.336 . . . . 1.6699999999999999 110.979 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.65 -32.83 6.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.81 0.338 . . . . 2.2999999999999998 111.142 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.446 ' SD ' ' CZ3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -93.57 -50.4 5.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.213 -0.449 . . . . 4.2800000000000002 109.898 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.49 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -56.05 -45.17 79.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 3.3399999999999999 110.871 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.13 -47.84 53.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.5900000000000001 110.851 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -83.77 -29.21 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 2.8999999999999999 110.795 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.85 -37.08 85.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 1.02 110.603 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 3.3500000000000001 111.018 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.696 0.284 . . . . 9.0899999999999999 111.263 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.12 177.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.71 2.273 . . . . 7.5199999999999996 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.49 ' HB2' ' CZ2' ' A' ' 6' ' ' TRP . . . -168.69 78.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 4.1799999999999997 111.225 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CZ3' ' SG ' ' A' ' 5' ' ' CYS . 6.5 p-90 -114.68 -26.53 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 6.8399999999999999 111.131 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.416 ' SG ' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -62.5 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 1.8500000000000001 110.906 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.49 ' CZ2' ' HB2' ' A' ' 3' ' ' ALA . 66.2 p-90 -49.78 -32.49 14.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.366 -0.379 . . . . 5.0199999999999996 110.779 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.55 -47.85 78.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 3.6299999999999999 109.864 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.6 m -57.19 -33.66 67.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.556 -0.747 . . . . 1.8799999999999999 110.051 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.7 mm? -80.06 -40.29 27.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 2.6099999999999999 111.284 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -50.94 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 1.4299999999999999 111.249 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -25.3 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 3.6200000000000001 110.945 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.28 -67.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 2.2000000000000002 110.724 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.84 -63.25 0.28 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.746 -0.74 . . . . 3.3900000000000001 112.511 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.36 44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 4.7599999999999998 111.069 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.81 154.16 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.73 -0.748 . . . . 3.6600000000000001 112.573 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -125.41 16.83 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 7.71 111.445 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.17 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 2.9199999999999999 110.809 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -79.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 3.7799999999999998 111.086 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.14 -76.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.57 -0.824 . . . . 1.0 112.801 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -53.91 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 1.6399999999999999 111.149 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 37.7 m -52.66 -67.13 0.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 1.24 111.456 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -45.63 -27.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 1.6699999999999999 111.657 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -91.56 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.538 -0.301 . . . . 2.2999999999999998 111.232 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -44.57 69.05 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.385 -0.371 . . . . 4.2800000000000002 111.281 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.436 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 8.0 t80 -56.83 -64.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.078 0.466 . . . . 3.3399999999999999 110.623 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -46.43 -53.89 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.5900000000000001 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -59.56 -36.41 76.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 2.8999999999999999 110.82 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -33.13 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 1.02 110.751 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -108.66 -70.29 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 3.3500000000000001 110.788 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.59 160.93 0.33 Allowed Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.615 -0.72 . . . . 3.23 112.549 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -144.74 61.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 7.1200000000000001 111.231 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.23 48.34 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 8.9900000000000002 111.411 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.11 30.79 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 10.01 110.884 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.9 152.95 20.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 8.2599999999999998 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.1 p -53.88 96.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 10.65 110.839 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 -62.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 12.390000000000001 110.828 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.71 158.32 9.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 13.380000000000001 112.424 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -175.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 15.119999999999999 110.883 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.8 m -75.76 -61.46 1.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 17.129999999999999 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -157.82 69.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 18.09 110.948 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -104.38 143.91 32.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 19.07 110.863 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 52.36 84.26 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 20.850000000000001 110.782 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 21.100000000000001 110.962 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.0 tttt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.685 0.279 . . . . 9.0899999999999999 111.26 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.24 151.23 36.72 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.613 2.209 . . . . 7.5199999999999996 112.237 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.87 78.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 4.1799999999999997 111.103 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 6.8 p-90 -111.8 34.28 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 6.8399999999999999 110.975 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.3 m -52.66 -68.77 0.14 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.8500000000000001 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -49.76 -30.57 9.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.977 0.418 . . . . 5.0199999999999996 110.498 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -49.2 73.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.575 . . . . 3.6299999999999999 109.57 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 m -55.91 -35.65 66.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 1.8799999999999999 109.779 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.4 mm? -72.15 -42.91 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 2.6099999999999999 110.902 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -50.53 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.4299999999999999 111.124 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -22.91 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 3.6200000000000001 111.087 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.57 170.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 2.2000000000000002 111.036 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.6 51.86 3.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 3.3900000000000001 112.615 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 69.63 -69.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 4.7599999999999998 111.096 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.49 -179.3 10.23 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.604 -0.808 . . . . 3.6600000000000001 112.428 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -118.07 174.49 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 7.71 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.0 t0 60.68 65.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 2.9199999999999999 111.055 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.71 -42.86 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 3.7799999999999998 111.015 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.63 -85.62 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.64 -0.79 . . . . 1.0 112.747 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.69 -34.42 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.6399999999999999 111.032 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -51.08 -67.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 1.24 111.248 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -26.39 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 1.6699999999999999 111.648 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -82.09 -73.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 2.2999999999999998 111.152 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.445 ' SD ' ' CZ3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -50.26 -53.19 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 4.2800000000000002 111.256 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 2.8 t80 -52.03 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 3.3399999999999999 111.066 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -62.03 1.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.5900000000000001 111.198 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -46.19 18.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 2.8999999999999999 111.506 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -52.05 -31.59 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 1.02 111.13 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -120.99 34.77 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 3.3500000000000001 110.943 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.22 15.58 55.6 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.77 -0.728 . . . . 3.23 112.817 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pt -154.75 72.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 7.1200000000000001 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -155.31 34.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 8.9900000000000002 110.866 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t60 66.43 91.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 10.01 110.862 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.76 104.68 11.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 8.2599999999999998 110.859 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.45 149.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 10.65 110.871 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -160.21 -180.0 8.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 12.390000000000001 110.87 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.43 -170.57 43.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.811 -0.709 . . . . 13.380000000000001 112.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -80.26 -50.93 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 15.119999999999999 110.846 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.39 -59.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 17.129999999999999 110.784 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m 66.07 62.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 18.09 111.038 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -115.84 -76.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 19.07 110.829 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -141.26 166.17 25.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 20.850000000000001 110.844 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 21.100000000000001 110.933 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.737 0.303 . . . . 9.0899999999999999 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -64.61 101.71 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.655 2.237 . . . . 7.5199999999999996 112.428 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.79 45.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 4.1799999999999997 110.879 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -2.55 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 6.8399999999999999 112.008 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.0 m -60.26 -72.52 0.11 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.782 0.325 . . . . 1.8500000000000001 111.083 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.489 ' CZ2' ' CE2' ' A' ' 7' ' ' TYR . 64.1 p-90 -48.45 -35.46 12.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.779 0.323 . . . . 5.0199999999999996 111.188 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CE2' ' CZ2' ' A' ' 6' ' ' TRP . 0.8 OUTLIER -49.77 -53.5 24.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.984 0.421 . . . . 3.6299999999999999 110.535 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.437 HG21 ' CG2' ' A' ' 20' ' ' THR . 6.5 m -59.07 -33.09 70.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.636 . . . . 1.8799999999999999 110.391 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.43 ' N ' HD21 ' A' ' 9' ' ' LEU . 4.0 mm? -74.49 -41.82 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 2.6099999999999999 111.324 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.77 88.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 1.4299999999999999 111.19 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.6 mtp -64.31 -27.25 68.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 3.6200000000000001 111.021 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -74.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 2.2000000000000002 110.823 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.75 -27.39 18.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 3.3900000000000001 112.582 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.1 -44.95 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 4.7599999999999998 111.137 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.66 24.68 7.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 3.6600000000000001 112.455 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -177.86 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 7.71 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -91.51 49.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 2.9199999999999999 110.793 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.2 t -49.58 -54.11 20.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 3.7799999999999998 111.056 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.48 -58.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.601 -0.809 . . . . 1.0 112.819 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.437 ' CG2' HG21 ' A' ' 8' ' ' THR . 0.2 OUTLIER -80.74 -45.26 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 1.6399999999999999 111.175 -179.649 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 22.0 m -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 1.24 111.468 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -60.16 -38.68 83.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.6699999999999999 111.774 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.69 -71.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 2.2999999999999998 111.587 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -46.36 -49.27 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 4.2800000000000002 111.539 -179.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 21.7 t80 -55.78 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 3.3399999999999999 110.898 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -49.64 -30.25 8.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 1.5900000000000001 111.177 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -75.6 -54.51 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 2.8999999999999999 110.946 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.62 -36.01 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 1.02 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -110.07 -173.53 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 3.3500000000000001 110.92 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.99 -131.44 11.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 3.23 112.413 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.401 HD12 HG22 ' A' ' 31' ' ' ILE . 5.6 mt 54.03 68.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.84 0.352 . . . . 7.1200000000000001 111.316 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.88 90.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 8.9900000000000002 111.036 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.35 94.01 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 10.01 110.907 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -146.54 123.51 11.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 8.2599999999999998 110.826 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.5 m 50.86 39.85 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 10.65 110.816 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m 54.01 76.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 12.390000000000001 110.845 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.89 107.5 0.54 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 13.380000000000001 112.543 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 t -96.54 -25.65 15.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 15.119999999999999 110.822 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 m -129.39 80.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 17.129999999999999 111.005 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 t -108.47 26.82 10.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 18.09 110.755 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -175.94 156.98 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 19.07 110.82 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -145.12 -54.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 20.850000000000001 110.959 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 21.100000000000001 110.958 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.711 0.291 . . . . 9.0899999999999999 111.197 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.29 165.12 7.74 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.61 2.206 . . . . 7.5199999999999996 112.032 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.68 78.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 4.1799999999999997 111.137 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -27.61 65.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 6.8399999999999999 110.508 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.0 m -52.91 -60.33 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 1.8500000000000001 110.889 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -69.08 -30.15 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 5.0199999999999996 110.813 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.0 -54.33 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 3.6299999999999999 110.914 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 t -64.55 -43.08 95.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.438 . . . . 1.8799999999999999 110.498 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.7 -39.66 89.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 2.6099999999999999 110.841 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.45 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.4299999999999999 111.054 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.39 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 3.6200000000000001 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.5 153.42 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 2.2000000000000002 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -66.77 0.39 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 3.3900000000000001 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.1 175.3 6.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 4.7599999999999998 111.169 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.88 24.75 30.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 3.6600000000000001 112.476 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' SER . 24.6 m-85 -96.91 170.05 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 7.71 110.984 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.9 78.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 2.9199999999999999 110.831 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.2 t -72.52 -63.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 3.7799999999999998 110.74 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.42 -60.03 0.1 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.61 -0.805 . . . . 1.0 112.632 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' MET . 1.7 m -100.9 -37.25 8.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.806 0.336 . . . . 1.6399999999999999 111.226 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 18.7 m -48.91 -50.63 34.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.368 -0.378 . . . . 1.24 111.253 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.44 62.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 1.6699999999999999 111.767 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.75 -64.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 2.2999999999999998 111.038 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -54.12 -49.46 69.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 4.2800000000000002 111.188 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 8.5 t80 -55.01 -67.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 3.3399999999999999 111.233 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.16 -53.99 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 1.5900000000000001 111.702 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -60.4 -25.84 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 2.8999999999999999 111.362 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.5 t -86.02 -58.4 2.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.38 -0.373 . . . . 1.02 110.998 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -87.55 -83.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 3.3500000000000001 110.904 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.2 28.45 3.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.887 -0.673 . . . . 3.23 112.421 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.3 mm -131.22 92.19 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 7.1200000000000001 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.12 26.66 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 8.9900000000000002 110.92 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 m170 62.59 30.75 17.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 10.01 110.869 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.17 153.66 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 8.2599999999999998 110.959 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -162.82 157.53 21.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 10.65 110.904 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m -97.94 86.01 3.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 12.390000000000001 110.944 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.91 87.25 1.99 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 13.380000000000001 112.641 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 m -92.93 166.31 12.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 15.119999999999999 110.965 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -134.69 -67.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 17.129999999999999 110.927 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.0 p -52.24 -28.4 18.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 18.09 110.865 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -80.05 154.02 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 19.07 111.061 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -154.9 136.55 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 20.850000000000001 110.815 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 21.100000000000001 110.844 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.706 0.289 . . . . 9.0899999999999999 111.257 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.87 137.53 24.61 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.576 2.184 . . . . 7.5199999999999996 112.366 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.2 39.14 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 4.1799999999999997 110.972 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -37.38 86.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 6.8399999999999999 111.03 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.94 -31.98 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 1.8500000000000001 111.037 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 5.0199999999999996 110.704 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -69.83 -41.27 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 3.6299999999999999 110.502 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.1 m -59.47 -42.03 91.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 1.8799999999999999 110.751 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD22 ' CA ' ' A' ' 25' ' ' TYR . 2.1 mm? -83.58 -46.4 12.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 2.6099999999999999 111.373 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.08 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.373 . . . . 1.4299999999999999 111.224 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.8 mmm -83.7 -48.49 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 3.6200000000000001 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -50.0 53.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 2.2000000000000002 110.984 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.87 18.9 10.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 3.3900000000000001 112.572 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 68.44 151.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 4.7599999999999998 111.146 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.37 67.94 1.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 3.6600000000000001 112.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -162.18 163.26 28.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 7.71 110.892 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -161.27 53.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 2.9199999999999999 110.989 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -34.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 3.7799999999999998 110.892 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.67 -83.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.599 -0.81 . . . . 1.0 112.804 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' MET . 0.2 OUTLIER -66.66 -42.75 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 1.6399999999999999 111.29 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.7 m -45.5 -52.02 10.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 1.24 111.509 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.61 -42.45 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.446 -0.343 . . . . 1.6699999999999999 111.435 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -66.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.511 -0.313 . . . . 2.2999999999999998 111.324 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -48.58 -31.71 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 4.2800000000000002 110.87 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.41 ' CA ' HD22 ' A' ' 9' ' ' LEU . 50.1 t80 -63.46 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 3.3399999999999999 110.398 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -36.9 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.559 . . . . 1.5900000000000001 110.96 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -51.59 -31.81 26.24 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.549 0.69 . . . . 2.8999999999999999 109.251 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.426 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 6.4 t -100.21 -25.94 14.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.842 -1.072 . . . . 1.02 109.37 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.426 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 32.0 t80 78.55 121.05 0.05 Allowed 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.416 -0.811 . . . . 3.3500000000000001 111.306 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.04 173.91 0.57 Allowed Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.558 -0.746 . . . . 3.23 112.527 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -145.85 62.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 7.1200000000000001 110.951 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.11 41.39 2.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 8.9900000000000002 111.022 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 66.92 97.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 10.01 110.887 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -126.75 106.59 9.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 8.2599999999999998 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -146.76 85.67 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 10.65 110.86 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 54.66 63.76 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 12.390000000000001 110.864 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.17 -60.57 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.724 -0.75 . . . . 13.380000000000001 112.632 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -64.67 153.49 39.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 15.119999999999999 110.904 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -154.72 -61.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 17.129999999999999 110.876 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.4 -46.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 18.09 110.887 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -70.45 131.09 43.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 19.07 110.929 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.6 m170 51.02 75.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 20.850000000000001 110.898 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 21.100000000000001 110.941 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.511 0.196 . . . . 9.0899999999999999 111.088 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.53 -168.83 0.61 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.531 2.154 . . . . 7.5199999999999996 112.554 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.426 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -158.0 96.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 4.1799999999999997 111.163 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.21 58.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 6.8399999999999999 111.511 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.2 m -53.35 -77.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.919 0.39 . . . . 1.8500000000000001 111.162 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.498 ' CD2' ' N ' ' A' ' 7' ' ' TYR . 65.0 p-90 -45.99 -44.3 14.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 5.0199999999999996 111.36 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.498 ' N ' ' CD2' ' A' ' 6' ' ' TRP . 8.6 t80 -45.84 -50.23 14.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.34 -0.391 . . . . 3.6299999999999999 111.014 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.6 m -58.33 -36.66 73.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 1.8799999999999999 110.434 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.476 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 3.9 mp -76.67 -45.92 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 2.6099999999999999 111.523 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.83 -57.26 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 1.4299999999999999 111.468 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 mtt -77.24 -14.06 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 3.6200000000000001 111.485 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 t -48.63 151.97 1.05 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.053 0.454 . . . . 2.2000000000000002 111.179 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.35 73.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.004 -0.617 . . . . 3.3900000000000001 111.789 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 75.56 69.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 4.7599999999999998 110.517 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.82 122.97 5.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.043 -0.599 . . . . 3.6600000000000001 113.187 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 172.12 86.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 7.71 110.831 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 48.68 48.78 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 2.9199999999999999 111.042 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 t -99.17 -69.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 3.7799999999999998 110.997 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.9 -88.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.535 -0.84 . . . . 1.0 112.89 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.34 -40.07 58.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 1.6399999999999999 111.235 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 21.8 m -50.8 -69.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 1.24 111.382 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -50.75 -30.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.386 . . . . 1.6699999999999999 111.609 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.1 -73.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 2.2999999999999998 111.413 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.03 -49.45 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 4.2800000000000002 111.14 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.427 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 65.6 t80 -51.36 -69.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 3.3399999999999999 110.772 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -47.29 -53.59 13.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.707 -0.678 . . . . 1.5900000000000001 111.173 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -51.48 -60.18 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 2.8999999999999999 110.829 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 t -56.23 -44.42 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 1.02 110.803 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -114.82 84.19 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 3.3500000000000001 110.727 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.47 2.99 87.45 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.864 -0.684 . . . . 3.23 113.077 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mt 51.18 81.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.815 0.34 . . . . 7.1200000000000001 111.277 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -128.05 57.31 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 8.9900000000000002 110.835 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -172.16 52.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 10.01 110.95 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.27 159.29 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 8.2599999999999998 110.927 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.98 117.75 23.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 10.65 110.883 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.77 -73.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 12.390000000000001 110.937 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.01 -97.86 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.688 -0.767 . . . . 13.380000000000001 112.535 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t 69.54 -67.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 15.119999999999999 110.852 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 t -175.49 75.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 17.129999999999999 110.896 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -122.81 -47.1 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 18.09 110.826 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -127.38 139.03 53.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 19.07 110.903 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -102.36 44.7 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.483 . . . . 20.850000000000001 110.966 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 21.100000000000001 110.91 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . 0.432 ' H61' ' O3 ' ' A' ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . 0.406 ' O7 ' ' O3 ' ' A' ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.711 0.291 . . . . 9.0899999999999999 111.195 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.26 153.09 61.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.55 2.166 . . . . 7.5199999999999996 112.308 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.82 39.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 4.1799999999999997 111.314 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.441 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 18.1 p-90 -101.95 27.66 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 6.8399999999999999 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -61.71 -61.66 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 1.8500000000000001 110.68 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.528 ' CE3' ' N ' ' A' ' 7' ' ' TYR . 49.4 p-90 -48.5 -34.73 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 5.0199999999999996 110.741 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -53.34 -57.56 10.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 3.6299999999999999 109.848 179.192 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 m -49.49 -32.79 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.56 -0.745 . . . . 1.8799999999999999 110.255 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm? -81.11 -38.59 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 2.6099999999999999 110.898 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.94 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 1.4299999999999999 111.119 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.4 ptm -78.3 0.83 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 3.6200000000000001 111.73 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.87 -58.07 3.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.844 0.354 . . . . 2.2000000000000002 110.951 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 94.34 31.78 7.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 3.3900000000000001 112.495 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 67.14 69.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 4.7599999999999998 111.025 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.14 129.61 5.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.85 -0.691 . . . . 3.6600000000000001 112.386 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -82.45 106.2 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 7.71 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t0 53.33 84.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 2.9199999999999999 110.856 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 t -112.07 -34.44 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 3.7799999999999998 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.8 -86.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.549 -0.834 . . . . 1.0 112.817 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' MET . 0.2 OUTLIER -78.46 -29.22 46.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.895 0.379 . . . . 1.6399999999999999 110.974 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -49.03 -69.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 1.24 111.296 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -35.2 62.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 1.6699999999999999 111.87 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -77.97 -73.0 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.646 0.26 . . . . 2.2999999999999998 111.526 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.441 ' SD ' ' CZ3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -46.56 -43.24 16.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 4.2800000000000002 111.304 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 70.7 t80 -49.05 -76.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.056 0.455 . . . . 3.3399999999999999 110.56 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -54.27 -33.63 59.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 1.5900000000000001 110.442 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -52.78 -40.74 63.47 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.371 -0.603 . . . . 2.8999999999999999 109.371 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 7.2 t -86.76 -25.34 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.084 -0.962 . . . . 1.02 109.429 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.402 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 76.8 t80 68.5 95.31 0.07 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.537 -0.756 . . . . 3.3500000000000001 111.598 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.24 101.77 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.071 -0.968 . . . . 3.23 113.231 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.411 ' O ' ' CD1' ' A' ' 31' ' ' ILE . 1.6 pp -88.8 57.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 7.1200000000000001 110.984 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -118.98 39.34 3.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.495 . . . . 8.9900000000000002 110.989 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.0 t60 51.31 65.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 10.01 110.995 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -165.22 100.5 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 8.2599999999999998 110.841 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -129.48 45.03 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 10.65 111.017 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.35 102.72 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 12.390000000000001 110.857 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.12 156.55 7.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.762 . . . . 13.380000000000001 112.461 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.77 81.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 15.119999999999999 110.831 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -124.88 68.98 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.086 -0.506 . . . . 17.129999999999999 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -50.75 62.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 18.09 110.925 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -93.89 128.52 40.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 19.07 110.882 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.69 -173.69 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 20.850000000000001 110.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 21.100000000000001 110.999 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . 0.41 ' O7 ' ' O3 ' ' A' ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.775 0.322 . . . . 9.0899999999999999 111.253 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.79 113.09 3.71 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.587 2.192 . . . . 7.5199999999999996 112.283 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.25 77.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 4.1799999999999997 111.107 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.408 ' CZ3' ' HB3' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -46.63 -27.21 1.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 6.8399999999999999 111.31 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.3 p -50.39 -41.31 51.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 1.8500000000000001 111.355 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -58.12 -43.68 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.758 0.313 . . . . 5.0199999999999996 110.795 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.408 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -58.03 -35.01 70.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 3.6299999999999999 110.5 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -62.26 -38.54 89.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.8799999999999999 109.821 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD11 ' CG ' ' A' ' 25' ' ' TYR . 3.6 mm? -74.95 -40.54 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 2.6099999999999999 111.008 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.0 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 1.4299999999999999 111.184 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.0 mmm -110.13 26.43 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 3.6200000000000001 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -61.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 2.2000000000000002 110.95 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.02 35.4 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 3.3900000000000001 112.581 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.36 172.44 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 4.7599999999999998 111.079 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 16' ' ' TYR . . . -54.79 -50.0 59.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.831 -0.699 . . . . 3.6600000000000001 112.576 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 5.6 t80 171.53 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.263 0.554 . . . . 7.71 111.004 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.95 69.17 1.03 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.339 -0.846 . . . . 2.9199999999999999 111.059 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.24 -50.28 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 3.7799999999999998 110.758 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.42 -65.73 0.13 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.686 -0.768 . . . . 1.0 112.72 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 -45.61 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 1.6399999999999999 111.053 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 51.6 m -46.33 -64.51 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 1.24 111.415 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.07 -27.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.403 . . . . 1.6699999999999999 111.578 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -69.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 2.2999999999999998 111.085 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -42.27 64.76 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.194 -0.457 . . . . 4.2800000000000002 111.406 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.478 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.0 t80 -62.07 -68.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 3.3399999999999999 111.056 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -38.55 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 1.5900000000000001 111.223 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -72.76 -54.08 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 2.8999999999999999 111.197 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -59.5 -57.55 12.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 1.02 111.254 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -21.96 60.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 3.3500000000000001 111.266 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.37 -175.73 14.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.651 -0.785 . . . . 3.23 112.434 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.07 71.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 7.1200000000000001 111.198 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -107.78 55.4 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 8.9900000000000002 110.8 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -118.31 43.1 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 10.01 111.092 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -157.74 77.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 8.2599999999999998 110.908 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 m -126.27 49.53 1.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 10.65 110.968 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.25 74.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 12.390000000000001 110.909 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.37 145.34 38.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 13.380000000000001 112.486 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p -68.31 -27.97 66.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 15.119999999999999 110.857 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 p -179.87 73.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 17.129999999999999 110.807 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m 51.02 71.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 18.09 110.785 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.54 -69.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 19.07 111.052 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -84.99 -46.8 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 20.850000000000001 110.996 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.099 -0.501 . . . . 21.100000000000001 110.994 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.689 0.281 . . . . 9.0899999999999999 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -55.86 88.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.519 2.146 . . . . 7.5199999999999996 112.481 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.15 65.41 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 4.1799999999999997 110.748 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -51.29 -22.88 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 6.8399999999999999 111.676 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.4 p -45.98 -51.48 13.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.611 0.244 . . . . 1.8500000000000001 111.431 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -37.85 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 5.0199999999999996 110.58 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.91 -41.96 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 3.6299999999999999 110.564 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -61.23 -36.67 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.8799999999999999 110.119 179.653 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' N ' HG22 ' A' ' 8' ' ' THR . 8.5 mp -67.25 -35.9 80.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.635 . . . . 2.6099999999999999 110.633 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.97 92.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 1.4299999999999999 110.636 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mtm -82.43 -17.4 45.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 3.6200000000000001 111.075 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.09 172.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.586 -0.279 . . . . 2.2000000000000002 111.18 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.84 -68.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 3.3900000000000001 112.508 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.402 ' CB ' ' H1 ' ' A' ' 44' ' ' NAG . . . -50.04 174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 4.7599999999999998 111.097 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.37 -124.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 3.6600000000000001 112.586 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -109.94 150.79 27.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 7.71 110.998 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 63.42 83.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 2.9199999999999999 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -125.91 -59.67 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.482 . . . . 3.7799999999999998 110.931 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.34 -73.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 1.0 112.636 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -58.26 4.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.723 0.297 . . . . 1.6399999999999999 111.081 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.08 -51.4 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.24 111.568 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -69.42 -54.57 13.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.389 . . . . 1.6699999999999999 111.169 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -57.18 -68.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 2.2999999999999998 111.631 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.17 -62.41 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 4.2800000000000002 111.417 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -51.18 -63.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 3.3399999999999999 111.113 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 72.2 m -43.51 -52.35 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 1.5900000000000001 111.741 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.43 -31.53 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 2.8999999999999999 111.26 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -78.5 -27.04 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.778 0.323 . . . . 1.02 110.93 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -94.48 -22.5 18.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 3.3500000000000001 111.097 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.5 103.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 3.23 112.455 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.7 mt -124.71 82.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 7.1200000000000001 111.117 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -133.28 40.63 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 8.9900000000000002 110.795 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -129.26 36.88 4.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 10.01 110.988 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.26 146.21 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 8.2599999999999998 110.802 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 t 63.8 41.55 6.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 10.65 110.779 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -156.69 65.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 12.390000000000001 110.849 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.1 -75.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 13.380000000000001 112.44 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.19 49.68 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.914 0.387 . . . . 15.119999999999999 110.818 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 p -108.18 -30.94 8.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 17.129999999999999 111.072 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 p 54.77 95.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 18.09 110.9 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -107.33 -54.8 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 19.07 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -163.21 36.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 20.850000000000001 110.889 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 21.100000000000001 110.861 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . 0.402 ' H1 ' ' CB ' ' A' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.1 tptm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.756 0.312 . . . . 9.0899999999999999 111.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -57.4 144.24 92.06 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.589 2.192 . . . . 7.5199999999999996 112.497 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.67 78.65 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 4.1799999999999997 110.804 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -44.41 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 6.8399999999999999 111.103 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.82 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.8500000000000001 111.004 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -47.47 -38.69 14.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.391 -0.368 . . . . 5.0199999999999996 110.979 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.92 -52.4 57.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 3.6299999999999999 110.471 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.435 ' HB ' ' CG ' ' A' ' 24' ' ' MET . 12.4 m -57.67 -27.36 62.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 1.8799999999999999 110.367 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 12' ' ' CYS . 0.5 OUTLIER -79.1 -55.98 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 2.6099999999999999 110.553 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.98 -31.07 2.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 1.4299999999999999 111.537 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -27.04 29.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 3.6200000000000001 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LEU . 52.9 t -55.03 155.19 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 2.2000000000000002 111.04 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.77 74.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.941 -0.647 . . . . 3.3900000000000001 112.298 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.1 40.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 4.7599999999999998 111.267 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' N ' ' H2 ' ' A' ' 44' ' ' NAG . . . 54.08 -156.61 6.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 3.6600000000000001 112.683 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.46 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 7.3 p90 -49.85 141.98 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 7.71 110.924 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 50.91 44.97 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 2.9199999999999999 110.744 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.3 m -49.0 -28.14 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 3.7799999999999998 111.172 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.56 -37.36 3.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.747 . . . . 1.0 111.988 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.432 HG21 ' CG2' ' A' ' 8' ' ' THR . 0.5 OUTLIER -91.0 -42.75 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 1.6399999999999999 110.534 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.1 m -66.42 -51.03 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 1.24 110.534 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -55.56 -42.17 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 1.6699999999999999 110.646 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -56.2 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 2.2999999999999998 110.483 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.435 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.77 -64.1 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.487 . . . . 4.2800000000000002 111.171 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -47.91 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.691 -0.686 . . . . 3.3399999999999999 111.612 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -34.67 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 1.5900000000000001 111.635 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -83.04 -68.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 2.8999999999999999 111.563 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' MET . 1.8 t -45.85 -43.68 13.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 1.02 111.316 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 14.3 m-85 -86.87 -26.28 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 3.3500000000000001 111.037 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.94 162.26 36.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 3.23 112.592 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.0 mt -92.43 66.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.806 0.336 . . . . 7.1200000000000001 111.11 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 50.35 89.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 8.9900000000000002 110.9 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.446 ' CD2' ' CD2' ' A' ' 34' ' ' HIS . 20.9 p-80 -103.25 32.16 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 10.01 110.958 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' CD2' ' CD2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -177.88 57.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 8.2599999999999998 111.049 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.0 t -65.7 89.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 10.65 110.715 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.8 t 58.63 -179.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 12.390000000000001 110.837 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.73 -101.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.807 -0.711 . . . . 13.380000000000001 112.451 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.9 t -165.8 92.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 15.119999999999999 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.8 t -167.42 102.23 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 17.129999999999999 110.936 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -28.19 20.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 18.09 110.863 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.82 141.08 29.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 19.07 110.924 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -85.86 -43.06 13.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 20.850000000000001 110.86 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 21.100000000000001 110.824 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . 0.416 ' H2 ' ' N ' ' A' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.674 0.273 . . . . 9.0899999999999999 111.163 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.65 159.9 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.575 2.184 . . . . 7.5199999999999996 112.517 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.47 86.22 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 4.1799999999999997 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -36.43 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 6.8399999999999999 110.458 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.5 m -67.77 -51.26 51.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.8500000000000001 110.613 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 5.0199999999999996 110.914 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 7.8 t80 -67.97 -44.95 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 3.6299999999999999 110.514 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.3 m -61.26 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.8799999999999999 110.491 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.477 HD21 ' CE2' ' A' ' 25' ' ' TYR . 9.1 mp -73.02 -36.93 67.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 2.6099999999999999 111.045 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.97 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.4299999999999999 111.252 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mmt -115.37 39.35 2.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 3.6200000000000001 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.64 -85.78 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.292 -0.413 . . . . 2.2000000000000002 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.95 31.42 7.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 3.3900000000000001 112.681 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -102.5 173.54 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 4.7599999999999998 111.206 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.14 -146.38 20.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.805 -0.712 . . . . 3.6600000000000001 112.507 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -48.71 129.18 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 7.71 110.985 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.49 64.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 2.9199999999999999 110.766 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.1 m -50.14 -31.02 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 3.7799999999999998 111.05 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.26 -50.18 1.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 1.0 112.459 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -50.44 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 1.6399999999999999 110.818 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 9.7 m -62.28 -54.54 39.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 1.24 111.061 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -25.15 1.78 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.32 -0.4 . . . . 1.6699999999999999 111.383 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -95.94 -59.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 2.2999999999999998 111.382 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -45.19 86.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 4.2800000000000002 111.129 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CE2' HD21 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -58.15 -62.55 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 3.3399999999999999 110.837 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -31.47 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.605 . . . . 1.5900000000000001 111.267 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.05 -29.53 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 2.8999999999999999 111.208 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.08 -31.86 63.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 1.02 110.958 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -115.32 41.44 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 3.3500000000000001 110.889 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.45 0.09 89.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.611 -0.804 . . . . 3.23 113.033 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mt 56.03 85.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.86 0.362 . . . . 7.1200000000000001 111.349 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -106.17 16.19 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 8.9900000000000002 111.259 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -136.58 53.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.718 0.294 . . . . 10.01 110.771 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -146.45 34.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 8.2599999999999998 111.102 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.18 167.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 10.65 111.088 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -110.16 -77.29 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 12.390000000000001 110.843 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.11 170.68 33.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.763 -0.732 . . . . 13.380000000000001 112.574 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -118.98 175.0 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 15.119999999999999 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -156.09 -45.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 17.129999999999999 111.004 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p -121.43 50.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 18.09 110.938 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -39.42 8.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 19.07 110.859 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -85.69 77.23 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 20.850000000000001 110.804 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 21.100000000000001 110.824 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . 0.421 ' C7 ' ' HB3' ' A' ' 21' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.742 0.306 . . . . 9.0899999999999999 111.2 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -48.26 149.59 6.18 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.597 2.198 . . . . 7.5199999999999996 112.456 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.4 47.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 4.1799999999999997 111.199 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.446 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 16.4 p-90 -108.26 31.77 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 6.8399999999999999 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.91 -59.36 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.8500000000000001 110.697 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -51.64 -34.98 40.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.024 0.44 . . . . 5.0199999999999996 110.386 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -56.74 -44.07 81.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.874 -0.603 . . . . 3.6299999999999999 109.869 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.0 m -57.32 -39.0 74.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.658 -0.701 . . . . 1.8799999999999999 110.174 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.49 HD11 ' CD1' ' A' ' 25' ' ' TYR . 6.9 mp -69.86 -48.03 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 2.6099999999999999 110.932 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -25.86 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 1.4299999999999999 111.098 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -24.0 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 3.6200000000000001 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 179.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 2.2000000000000002 110.993 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 56.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 3.3900000000000001 112.377 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.19 36.96 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.317 . . . . 4.7599999999999998 111.178 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.54 -135.84 18.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.811 -0.709 . . . . 3.6600000000000001 112.633 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -55.6 149.72 13.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 7.71 110.931 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t70 51.22 68.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 2.9199999999999999 110.913 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -50.86 -46.85 60.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 3.7799999999999998 110.827 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.41 -45.61 1.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 1.0 112.634 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.23 -62.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.734 0.302 . . . . 1.6399999999999999 111.017 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' TYR . 24.3 m -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 1.24 110.963 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.76 -17.03 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.86 -0.336 . . . . 1.6699999999999999 110.979 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.65 -32.83 6.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.81 0.338 . . . . 2.2999999999999998 111.142 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.446 ' SD ' ' CZ3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -93.57 -50.4 5.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.213 -0.449 . . . . 4.2800000000000002 109.898 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.49 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -56.05 -45.17 79.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 3.3399999999999999 110.871 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.13 -47.84 53.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.5900000000000001 110.851 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -83.77 -29.21 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 2.8999999999999999 110.795 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.85 -37.08 85.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 1.02 110.603 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -103.79 -22.44 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 3.3500000000000001 111.018 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.74 127.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 3.23 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.14 69.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 7.1200000000000001 111.06 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -175.89 98.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 8.9900000000000002 110.777 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -86.03 59.6 5.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 10.01 111.087 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -77.19 73.13 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 8.2599999999999998 110.85 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 m -68.5 87.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 10.65 111.021 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 m -159.73 107.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 12.390000000000001 110.838 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.64 -51.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 13.380000000000001 112.494 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 39' ' ' SER . 96.8 p -161.51 -77.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 15.119999999999999 110.899 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.416 ' N ' ' OG ' ' A' ' 38' ' ' SER . 1.1 p -171.33 59.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 17.129999999999999 110.898 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.0 t -166.39 88.55 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 18.09 110.84 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.77 172.44 13.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 19.07 110.91 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -134.42 140.13 46.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 20.850000000000001 110.822 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 21.100000000000001 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.55 ' HB1' ' CZ2' ' A' ' 6' ' ' TRP . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.817 0.341 . . . . 4.04 111.225 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CZ3' ' SG ' ' A' ' 5' ' ' CYS . 6.5 p-90 -114.68 -26.53 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 6.06 111.131 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.416 ' SG ' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -62.5 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 1.69 110.906 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.55 ' CZ2' ' HB1' ' A' ' 3' ' ' ALA . 66.2 p-90 -49.78 -32.49 14.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.366 -0.379 . . . . 4.2 110.779 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.55 -47.85 78.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 3.39 109.864 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 24' ' ' MET . 9.6 m -57.19 -33.66 67.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.556 -0.747 . . . . 1.44 110.051 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 25' ' ' TYR . 1.7 mm? -80.06 -40.29 27.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 2.06 111.284 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -50.94 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 1.28 111.249 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -25.3 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 3.15 110.945 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -58.28 -67.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 2.2 110.724 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.84 -63.25 0.28 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.746 -0.74 . . . . 3.39 112.511 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.36 44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 4.39 111.069 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.81 154.16 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.73 -0.748 . . . . 3.16 112.573 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -125.41 16.83 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 7.33 111.445 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.17 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 2.92 110.809 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -79.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 3.78 111.086 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.14 -76.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.57 -0.824 . . . . 0.91 112.801 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.417 HG23 ' HE1' ' A' ' 24' ' ' MET . 0.2 OUTLIER -64.02 -53.91 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 1.11 111.149 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 37.7 m -52.66 -67.13 0.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 1.24 111.456 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -45.63 -27.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 1.67 111.657 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -91.56 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.538 -0.301 . . . . 2.01 111.232 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.576 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -53.47 -44.57 69.05 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.385 -0.371 . . . . 3.89 111.281 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.839 ' CG ' HD11 ' A' ' 9' ' ' LEU . 8.0 t80 -56.83 -64.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.078 0.466 . . . . 3.0 110.623 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -46.43 -53.89 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.33 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -59.56 -36.41 76.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 2.28 110.82 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -33.13 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.99 110.751 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 2.8 110.788 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.78 0.324 . . . . 4.04 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 6.8 p-90 -111.8 34.28 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 6.06 110.975 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.3 m -52.66 -68.77 0.14 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.69 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -49.76 -30.57 9.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.977 0.418 . . . . 4.2 110.498 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -49.2 73.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.575 . . . . 3.39 109.57 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.774 HG21 ' HB2' ' A' ' 24' ' ' MET . 13.8 m -55.91 -35.65 66.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 1.44 109.779 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.4 mm? -72.15 -42.91 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 2.06 110.902 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -50.53 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.28 111.124 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -22.91 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 3.15 111.087 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.57 170.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 2.2 111.036 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -88.6 51.86 3.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 3.39 112.615 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 69.63 -69.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 4.39 111.096 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.49 -179.3 10.23 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.604 -0.808 . . . . 3.16 112.428 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -118.07 174.49 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 7.33 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.0 t0 60.68 65.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 2.92 111.055 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.71 -42.86 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 3.78 111.015 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.63 -85.62 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.64 -0.79 . . . . 0.91 112.747 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.428 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -67.69 -34.42 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.11 111.032 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -51.08 -67.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 1.24 111.248 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -26.39 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 1.67 111.648 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -82.09 -73.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 2.01 111.152 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.774 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -50.26 -53.19 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 3.89 111.256 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 2.8 t80 -52.03 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 3.0 111.066 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -62.03 1.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.33 111.198 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -46.19 18.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 2.28 111.506 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -52.05 -31.59 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.99 111.13 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 2.8 110.943 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.865 0.364 . . . . 4.04 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -2.55 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 6.06 112.008 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' O ' HD23 ' A' ' 9' ' ' LEU . 34.0 m -60.26 -72.52 0.11 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.782 0.325 . . . . 1.69 111.083 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.489 ' CZ2' ' CE2' ' A' ' 7' ' ' TYR . 64.1 p-90 -48.45 -35.46 12.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.779 0.323 . . . . 4.2 111.188 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CE2' ' CZ2' ' A' ' 6' ' ' TRP . 0.8 OUTLIER -49.77 -53.5 24.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.984 0.421 . . . . 3.39 110.535 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.805 HG23 ' HB ' ' A' ' 20' ' ' THR . 6.5 m -59.07 -33.09 70.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.636 . . . . 1.44 110.391 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 4.0 mm? -74.49 -41.82 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 2.06 111.324 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.77 88.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 1.28 111.19 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.6 mtp -64.31 -27.25 68.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 3.15 111.021 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -51.76 -74.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 2.2 110.823 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.75 -27.39 18.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 3.39 112.582 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.1 -44.95 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 4.39 111.137 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.66 24.68 7.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 3.16 112.455 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -177.86 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 7.33 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' A' ' 22' ' ' ASP . 70.3 m-20 -91.51 49.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 2.92 110.793 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.2 t -49.58 -54.11 20.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 3.78 111.056 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.48 -58.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.601 -0.809 . . . . 0.91 112.819 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.805 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -80.74 -45.26 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 1.11 111.175 -179.649 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.514 ' HA ' HG22 ' A' ' 8' ' ' THR . 22.0 m -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 1.24 111.468 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 19.7 t0 -60.16 -38.68 83.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.67 111.774 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.69 -71.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 2.01 111.587 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.75 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.36 -49.27 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 3.89 111.539 -179.411 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 21.7 t80 -55.78 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 3.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -49.64 -30.25 8.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 1.33 111.177 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -75.6 -54.51 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 2.28 110.946 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.62 -36.01 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.99 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 2.8 110.92 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.832 0.349 . . . . 4.04 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -27.61 65.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 6.06 110.508 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.0 m -52.91 -60.33 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 1.69 110.889 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -69.08 -30.15 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 4.2 110.813 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.0 -54.33 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 3.39 110.914 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.494 HG23 HD22 ' A' ' 9' ' ' LEU . 2.4 t -64.55 -43.08 95.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.438 . . . . 1.44 110.498 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.494 HD22 HG23 ' A' ' 8' ' ' THR . 2.8 mm? -60.7 -39.66 89.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 2.06 110.841 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.45 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.28 111.054 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.39 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 3.15 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.5 153.42 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 2.2 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -66.77 0.39 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 3.39 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.1 175.3 6.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 4.39 111.169 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.88 24.75 30.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 3.16 112.476 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' SER . 24.6 m-85 -96.91 170.05 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 7.33 110.984 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.9 78.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 2.92 110.831 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.2 t -72.52 -63.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 3.78 110.74 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.42 -60.03 0.1 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.61 -0.805 . . . . 0.91 112.632 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' MET . 1.7 m -100.9 -37.25 8.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.806 0.336 . . . . 1.11 111.226 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 18.7 m -48.91 -50.63 34.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.368 -0.378 . . . . 1.24 111.253 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.44 62.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 1.67 111.767 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.75 -64.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 2.01 111.038 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -54.12 -49.46 69.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 3.89 111.188 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HB2' HD21 ' A' ' 9' ' ' LEU . 8.5 t80 -55.01 -67.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 3.0 111.233 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.16 -53.99 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 1.33 111.702 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -60.4 -25.84 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 2.28 111.362 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' MET . 4.5 t -86.02 -58.4 2.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.38 -0.373 . . . . 0.99 110.998 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 2.8 110.904 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 4.04 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -37.38 86.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 6.06 111.03 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.94 -31.98 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 1.69 111.037 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 4.2 110.704 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -69.83 -41.27 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 3.39 110.502 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.867 HG21 ' CB ' ' A' ' 24' ' ' MET . 24.1 m -59.47 -42.03 91.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 1.44 110.751 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' A' ' 25' ' ' TYR . 2.1 mm? -83.58 -46.4 12.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 2.06 111.373 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.08 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.373 . . . . 1.28 111.224 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.8 mmm -83.7 -48.49 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 3.15 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -50.0 53.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 2.2 110.984 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . 106.87 18.9 10.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 3.39 112.572 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 68.44 151.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 4.39 111.146 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.37 67.94 1.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 3.16 112.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -162.18 163.26 28.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 7.33 110.892 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -161.27 53.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 2.92 110.989 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -34.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 3.78 110.892 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.67 -83.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.599 -0.81 . . . . 0.91 112.804 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' MET . 0.2 OUTLIER -66.66 -42.75 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 1.11 111.29 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 76.7 m -45.5 -52.02 10.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 1.24 111.509 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.61 -42.45 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.446 -0.343 . . . . 1.67 111.435 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -66.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.511 -0.313 . . . . 2.01 111.324 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.867 ' CB ' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -48.58 -31.71 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 3.89 110.87 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.72 ' HB2' HD11 ' A' ' 9' ' ' LEU . 50.1 t80 -63.46 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 3.0 110.398 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -36.9 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.559 . . . . 1.33 110.96 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -51.59 -31.81 26.24 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.549 0.69 . . . . 2.28 109.251 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 6.4 t -100.21 -25.94 14.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.842 -1.072 . . . . 0.99 109.37 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 32.0 t80 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-N 115.416 -0.811 . . . . 2.8 111.306 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.426 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.893 0.378 . . . . 4.04 111.163 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.21 58.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 6.06 111.511 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.2 m -53.35 -77.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.919 0.39 . . . . 1.69 111.162 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.498 ' CD2' ' N ' ' A' ' 7' ' ' TYR . 65.0 p-90 -45.99 -44.3 14.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 4.2 111.36 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.498 ' N ' ' CD2' ' A' ' 6' ' ' TRP . 8.6 t80 -45.84 -50.23 14.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.34 -0.391 . . . . 3.39 111.014 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.724 HG21 ' HB2' ' A' ' 24' ' ' MET . 17.6 m -58.33 -36.66 73.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 1.44 110.434 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.519 HD21 ' HD1' ' A' ' 25' ' ' TYR . 3.9 mp -76.67 -45.92 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 2.06 111.523 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.83 -57.26 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 1.28 111.468 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 mtt -77.24 -14.06 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 3.15 111.485 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 37.5 t -48.63 151.97 1.05 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.053 0.454 . . . . 2.2 111.179 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -124.35 73.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.004 -0.617 . . . . 3.39 111.789 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 75.56 69.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 4.39 110.517 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.82 122.97 5.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.043 -0.599 . . . . 3.16 113.187 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 172.12 86.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 7.33 110.831 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 48.68 48.78 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 2.92 111.042 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 t -99.17 -69.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 3.78 110.997 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.9 -88.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.535 -0.84 . . . . 0.91 112.89 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.494 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -75.34 -40.07 58.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 1.11 111.235 -179.616 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 21.8 m -50.8 -69.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 1.24 111.382 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -50.75 -30.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.386 . . . . 1.67 111.609 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.1 -73.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 2.01 111.413 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.724 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -48.03 -49.45 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 3.89 111.14 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.519 ' HD1' HD21 ' A' ' 9' ' ' LEU . 65.6 t80 -51.36 -69.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 3.0 110.772 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -47.29 -53.59 13.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.707 -0.678 . . . . 1.33 111.173 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -51.48 -60.18 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 2.28 110.829 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 t -56.23 -44.42 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.99 110.803 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 2.8 110.727 179.853 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.722 0.296 . . . . 4.04 111.314 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.441 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 18.1 p-90 -101.95 27.66 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 6.06 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -61.71 -61.66 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 1.69 110.68 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.528 ' CE3' ' N ' ' A' ' 7' ' ' TYR . 49.4 p-90 -48.5 -34.73 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 4.2 110.741 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -53.34 -57.56 10.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 3.39 109.848 179.192 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.891 HG21 ' CB ' ' A' ' 24' ' ' MET . 21.3 m -49.49 -32.79 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.56 -0.745 . . . . 1.44 110.255 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm? -81.11 -38.59 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 2.06 110.898 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.94 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 1.28 111.119 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.4 ptm -78.3 0.83 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 3.15 111.73 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.87 -58.07 3.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.844 0.354 . . . . 2.2 110.951 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . 94.34 31.78 7.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 3.39 112.495 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 67.14 69.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 4.39 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.14 129.61 5.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.85 -0.691 . . . . 3.16 112.386 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -82.45 106.2 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 7.33 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t0 53.33 84.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 2.92 110.856 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 t -112.07 -34.44 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 3.78 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.8 -86.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.549 -0.834 . . . . 0.91 112.817 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.455 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -78.46 -29.22 46.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.895 0.379 . . . . 1.11 110.974 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -49.03 -69.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 1.24 111.296 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -35.2 62.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 1.67 111.87 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -77.97 -73.0 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.646 0.26 . . . . 2.01 111.526 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.891 ' CB ' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.56 -43.24 16.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 3.89 111.304 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 70.7 t80 -49.05 -76.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.056 0.455 . . . . 3.0 110.56 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -54.27 -33.63 59.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 1.33 110.442 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -52.78 -40.74 63.47 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.371 -0.603 . . . . 2.28 109.371 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 7.2 t -86.76 -25.34 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.084 -0.962 . . . . 0.99 109.429 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 76.8 t80 . . . . . 0 CA--C 1.521 -0.156 0 CA-C-N 115.537 -0.756 . . . . 2.8 111.598 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.778 0.323 . . . . 4.04 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -46.63 -27.21 1.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 6.06 111.31 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' O ' ' HB ' ' A' ' 8' ' ' THR . 20.3 p -50.39 -41.31 51.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 1.69 111.355 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -58.12 -43.68 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.758 0.313 . . . . 4.2 110.795 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.421 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -58.03 -35.01 70.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 3.39 110.5 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.631 HG23 ' HB ' ' A' ' 20' ' ' THR . 1.3 m -62.26 -38.54 89.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.44 109.821 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.6 mm? -74.95 -40.54 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 2.06 111.008 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.0 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 1.28 111.184 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.0 mmm -110.13 26.43 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 3.15 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -61.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 2.2 110.95 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.02 35.4 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 3.39 112.581 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.36 172.44 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 4.39 111.079 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 16' ' ' TYR . . . -54.79 -50.0 59.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.831 -0.699 . . . . 3.16 112.576 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 5.6 t80 171.53 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.263 0.554 . . . . 7.33 111.004 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.95 69.17 1.03 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.339 -0.846 . . . . 2.92 111.059 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.24 -50.28 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 3.78 110.758 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.42 -65.73 0.13 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.686 -0.768 . . . . 0.91 112.72 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.631 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -84.07 -45.61 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 1.11 111.053 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 51.6 m -46.33 -64.51 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 1.24 111.415 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.07 -27.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.403 . . . . 1.67 111.578 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -69.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 2.01 111.085 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.594 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -52.74 -42.27 64.76 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.194 -0.457 . . . . 3.89 111.406 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.438 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.0 t80 -62.07 -68.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 3.0 111.056 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -38.55 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 1.33 111.223 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -72.76 -54.08 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 2.28 111.197 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -59.5 -57.55 12.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.99 111.254 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 2.8 111.266 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.864 0.364 . . . . 4.04 110.748 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -51.29 -22.88 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 6.06 111.676 -179.618 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.774 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 p -45.98 -51.48 13.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.611 0.244 . . . . 1.69 111.431 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -37.85 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 4.2 110.58 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -55.91 -41.96 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 3.39 110.564 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 5' ' ' CYS . 0.9 OUTLIER -61.23 -36.67 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.44 110.119 179.653 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 25' ' ' TYR . 8.5 mp -67.25 -35.9 80.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.635 . . . . 2.06 110.633 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.97 92.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 1.28 110.636 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mtm -82.43 -17.4 45.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 3.15 111.075 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -47.09 172.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.586 -0.279 . . . . 2.2 111.18 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.84 -68.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 3.39 112.508 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 4.39 111.097 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.37 -124.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 3.16 112.586 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -109.94 150.79 27.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 7.33 110.998 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 63.42 83.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 2.92 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -125.91 -59.67 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.482 . . . . 3.78 110.931 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.34 -73.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.91 112.636 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 24' ' ' MET . 0.4 OUTLIER -68.91 -58.26 4.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.723 0.297 . . . . 1.11 111.081 -179.766 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -44.08 -51.4 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.24 111.568 -179.668 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -69.42 -54.57 13.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.389 . . . . 1.67 111.169 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -57.18 -68.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 2.01 111.631 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -47.17 -62.41 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 3.89 111.417 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.48 ' HB2' HD11 ' A' ' 9' ' ' LEU . 4.5 t80 -51.18 -63.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 3.0 111.113 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 72.2 m -43.51 -52.35 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 1.33 111.741 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.43 -31.53 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 2.28 111.26 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 47.5 t -78.5 -27.04 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.778 0.323 . . . . 0.99 110.93 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 2.8 111.097 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 6' ' ' TRP . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.878 0.37 . . . . 4.04 110.804 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -44.41 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 6.06 111.103 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.82 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.69 111.004 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 1.4 p-90 -47.47 -38.69 14.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.391 -0.368 . . . . 4.2 110.979 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.92 -52.4 57.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 3.39 110.471 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 20' ' ' THR . 12.4 m -57.67 -27.36 62.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 1.44 110.367 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.63 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -79.1 -55.98 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 2.06 110.553 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.98 -31.07 2.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 1.28 111.537 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -27.04 29.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 3.15 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LEU . 52.9 t -55.03 155.19 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 2.2 111.04 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.77 74.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.941 -0.647 . . . . 3.39 112.298 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 18' ' ' SER . . . -153.1 40.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 4.39 111.267 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.08 -156.61 6.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 3.16 112.683 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' A' ' 16' ' ' TYR . 7.3 p90 -49.85 141.98 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 7.33 110.924 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 50.91 44.97 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 2.92 110.744 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 38.3 m -49.0 -28.14 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 3.78 111.172 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.56 -37.36 3.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.747 . . . . 0.91 111.988 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 8' ' ' THR . 0.5 OUTLIER -91.0 -42.75 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 1.11 110.534 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.1 m -66.42 -51.03 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 1.24 110.534 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -55.56 -42.17 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 1.67 110.646 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -56.2 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 2.01 110.483 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.456 ' HG3' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.77 -64.1 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.487 . . . . 3.89 111.171 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -47.91 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.691 -0.686 . . . . 3.0 111.612 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -34.67 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 1.33 111.635 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -83.04 -68.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 2.28 111.563 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' MET . 1.8 t -45.85 -43.68 13.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 0.99 111.316 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 14.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 2.8 111.037 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.762 0.315 . . . . 4.04 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -36.43 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 6.06 110.458 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.5 m -67.77 -51.26 51.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.69 110.613 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 4.2 110.914 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 7.8 t80 -67.97 -44.95 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 3.39 110.514 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.805 HG21 ' HB2' ' A' ' 24' ' ' MET . 20.3 m -61.26 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.44 110.491 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mp -73.02 -36.93 67.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 2.06 111.045 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.97 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.28 111.252 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mmt -115.37 39.35 2.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 3.15 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.64 -85.78 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.292 -0.413 . . . . 2.2 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.95 31.42 7.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 3.39 112.681 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' OG ' ' A' ' 18' ' ' SER . . . -102.5 173.54 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 4.39 111.206 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.14 -146.38 20.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.805 -0.712 . . . . 3.16 112.507 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -48.71 129.18 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 7.33 110.985 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.49 64.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 2.92 110.766 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.528 ' OG ' ' HB3' ' A' ' 14' ' ' ALA . 18.1 m -50.14 -31.02 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 3.78 111.05 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.26 -50.18 1.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.91 112.459 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -50.44 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 1.11 110.818 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 9.7 m -62.28 -54.54 39.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 1.24 111.061 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -25.15 1.78 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.32 -0.4 . . . . 1.67 111.383 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -95.94 -59.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 2.01 111.382 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.805 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -64.98 -45.19 86.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 3.89 111.129 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -58.15 -62.55 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 3.0 110.837 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -31.47 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.605 . . . . 1.33 111.267 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.05 -29.53 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 2.28 111.208 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.08 -31.86 63.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.99 110.958 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 2.8 110.889 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.723 0.296 . . . . 4.04 111.199 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.446 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 16.4 p-90 -108.26 31.77 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 6.06 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.91 -59.36 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.69 110.697 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -51.64 -34.98 40.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.024 0.44 . . . . 4.2 110.386 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -56.74 -44.07 81.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.874 -0.603 . . . . 3.39 109.869 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.819 HG22 ' SG ' ' A' ' 21' ' ' CYS . 18.0 m -57.32 -39.0 74.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.658 -0.701 . . . . 1.44 110.174 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.52 HD21 ' CE1' ' A' ' 25' ' ' TYR . 6.9 mp -69.86 -48.03 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 2.06 110.932 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -25.86 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 1.28 111.098 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -24.0 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 3.15 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 179.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 2.2 110.993 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 56.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 3.39 112.377 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.19 36.96 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.317 . . . . 4.39 111.178 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.54 -135.84 18.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.811 -0.709 . . . . 3.16 112.633 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -55.6 149.72 13.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 7.33 110.931 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t70 51.22 68.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 2.92 110.913 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -50.86 -46.85 60.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 3.78 110.827 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.41 -45.61 1.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.91 112.634 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.56 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -105.23 -62.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.734 0.302 . . . . 1.11 111.017 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.819 ' SG ' HG22 ' A' ' 8' ' ' THR . 24.3 m -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 1.24 110.963 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.76 -17.03 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.86 -0.336 . . . . 1.67 110.979 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.65 -32.83 6.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.81 0.338 . . . . 2.01 111.142 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.446 ' SD ' ' CZ3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -93.57 -50.4 5.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.213 -0.449 . . . . 3.89 109.898 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.52 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -56.05 -45.17 79.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 3.0 110.871 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.13 -47.84 53.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.33 110.851 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -83.77 -29.21 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 2.28 110.795 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.85 -37.08 85.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.99 110.603 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 2.8 111.018 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.696 0.284 . . . . 8.83 111.263 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.12 177.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.71 2.273 . . . . 6.96 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.55 ' HB1' ' CZ2' ' A' ' 6' ' ' TRP . . . -168.69 78.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 4.04 111.225 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CZ3' ' SG ' ' A' ' 5' ' ' CYS . 6.5 p-90 -114.68 -26.53 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 6.06 111.131 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.416 ' SG ' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -62.5 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 1.69 110.906 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.55 ' CZ2' ' HB1' ' A' ' 3' ' ' ALA . 66.2 p-90 -49.78 -32.49 14.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.366 -0.379 . . . . 4.2 110.779 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.55 -47.85 78.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 3.39 109.864 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 24' ' ' MET . 9.6 m -57.19 -33.66 67.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.556 -0.747 . . . . 1.44 110.051 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 25' ' ' TYR . 1.7 mm? -80.06 -40.29 27.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 2.06 111.284 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -50.94 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 1.28 111.249 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -25.3 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 3.15 110.945 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -58.28 -67.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 2.2 110.724 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.84 -63.25 0.28 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.746 -0.74 . . . . 3.39 112.511 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.36 44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 4.39 111.069 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.81 154.16 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.73 -0.748 . . . . 3.16 112.573 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -125.41 16.83 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 7.33 111.445 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.17 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 2.92 110.809 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -79.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 3.78 111.086 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.14 -76.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.57 -0.824 . . . . 0.91 112.801 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.417 HG23 ' HE1' ' A' ' 24' ' ' MET . 0.2 OUTLIER -64.02 -53.91 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 1.11 111.149 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 37.7 m -52.66 -67.13 0.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 1.24 111.456 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -45.63 -27.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 1.67 111.657 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -91.56 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.538 -0.301 . . . . 2.01 111.232 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.576 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -53.47 -44.57 69.05 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.385 -0.371 . . . . 3.89 111.281 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.839 ' CG ' HD11 ' A' ' 9' ' ' LEU . 8.0 t80 -56.83 -64.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.078 0.466 . . . . 3.0 110.623 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -46.43 -53.89 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.33 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -59.56 -36.41 76.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 2.28 110.82 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -33.13 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.99 110.751 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -108.66 -70.29 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 2.8 110.788 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.59 160.93 0.33 Allowed Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.615 -0.72 . . . . 3.23 112.549 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.712 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -144.74 61.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 6.75 111.231 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.23 48.34 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 8.71 111.411 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.11 30.79 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 9.33 110.884 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.9 152.95 20.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 8.06 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.1 p -53.88 96.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 10.62 110.839 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 -62.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 12.39 110.828 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.71 158.32 9.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 13.38 112.424 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -175.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 15.12 110.883 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.8 m -75.76 -61.46 1.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 17.13 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -157.82 69.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 18.09 110.948 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -104.38 143.91 32.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 18.86 110.863 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 52.36 84.26 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 20.46 110.782 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 21.1 110.962 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.0 tttt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.685 0.279 . . . . 8.83 111.26 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.24 151.23 36.72 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.613 2.209 . . . . 6.96 112.237 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.87 78.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 4.04 111.103 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 6.8 p-90 -111.8 34.28 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 6.06 110.975 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.3 m -52.66 -68.77 0.14 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.69 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -49.76 -30.57 9.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.977 0.418 . . . . 4.2 110.498 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -49.2 73.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.575 . . . . 3.39 109.57 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.774 HG21 ' HB2' ' A' ' 24' ' ' MET . 13.8 m -55.91 -35.65 66.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 1.44 109.779 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.4 mm? -72.15 -42.91 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 2.06 110.902 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -50.53 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.28 111.124 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -22.91 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 3.15 111.087 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.57 170.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 2.2 111.036 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -88.6 51.86 3.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 3.39 112.615 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 69.63 -69.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 4.39 111.096 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.49 -179.3 10.23 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.604 -0.808 . . . . 3.16 112.428 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -118.07 174.49 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 7.33 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.0 t0 60.68 65.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 2.92 111.055 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.71 -42.86 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 3.78 111.015 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.63 -85.62 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.64 -0.79 . . . . 0.91 112.747 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.428 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -67.69 -34.42 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.11 111.032 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -51.08 -67.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 1.24 111.248 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -26.39 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 1.67 111.648 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -82.09 -73.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 2.01 111.152 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.774 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -50.26 -53.19 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 3.89 111.256 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 2.8 t80 -52.03 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 3.0 111.066 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -62.03 1.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.33 111.198 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -46.19 18.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 2.28 111.506 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -52.05 -31.59 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.99 111.13 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -120.99 34.77 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 2.8 110.943 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.22 15.58 55.6 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.77 -0.728 . . . . 3.23 112.817 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pt -154.75 72.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 6.75 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -155.31 34.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 8.71 110.866 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t60 66.43 91.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 9.33 110.862 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.76 104.68 11.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 8.06 110.859 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.45 149.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 10.62 110.871 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -160.21 -180.0 8.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 12.39 110.87 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.43 -170.57 43.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.811 -0.709 . . . . 13.38 112.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -80.26 -50.93 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 15.12 110.846 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.39 -59.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 17.13 110.784 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m 66.07 62.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 18.09 111.038 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -115.84 -76.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 18.86 110.829 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -141.26 166.17 25.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 20.46 110.844 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 21.1 110.933 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.737 0.303 . . . . 8.83 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -64.61 101.71 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.655 2.237 . . . . 6.96 112.428 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.79 45.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 4.04 110.879 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -2.55 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 6.06 112.008 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' O ' HD23 ' A' ' 9' ' ' LEU . 34.0 m -60.26 -72.52 0.11 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.782 0.325 . . . . 1.69 111.083 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.489 ' CZ2' ' CE2' ' A' ' 7' ' ' TYR . 64.1 p-90 -48.45 -35.46 12.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.779 0.323 . . . . 4.2 111.188 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CE2' ' CZ2' ' A' ' 6' ' ' TRP . 0.8 OUTLIER -49.77 -53.5 24.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.984 0.421 . . . . 3.39 110.535 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.805 HG23 ' HB ' ' A' ' 20' ' ' THR . 6.5 m -59.07 -33.09 70.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.636 . . . . 1.44 110.391 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 4.0 mm? -74.49 -41.82 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 2.06 111.324 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.77 88.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 1.28 111.19 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.6 mtp -64.31 -27.25 68.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 3.15 111.021 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -51.76 -74.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 2.2 110.823 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.75 -27.39 18.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 3.39 112.582 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.1 -44.95 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 4.39 111.137 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.66 24.68 7.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 3.16 112.455 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -177.86 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 7.33 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' A' ' 22' ' ' ASP . 70.3 m-20 -91.51 49.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 2.92 110.793 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.2 t -49.58 -54.11 20.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 3.78 111.056 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.48 -58.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.601 -0.809 . . . . 0.91 112.819 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.805 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -80.74 -45.26 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 1.11 111.175 -179.649 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.514 ' HA ' HG22 ' A' ' 8' ' ' THR . 22.0 m -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 1.24 111.468 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 19.7 t0 -60.16 -38.68 83.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.67 111.774 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.69 -71.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 2.01 111.587 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.75 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.36 -49.27 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 3.89 111.539 -179.411 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 21.7 t80 -55.78 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 3.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -49.64 -30.25 8.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 1.33 111.177 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -75.6 -54.51 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 2.28 110.946 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.62 -36.01 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.99 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -110.07 -173.53 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 2.8 110.92 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.99 -131.44 11.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 3.23 112.413 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mt 54.03 68.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.84 0.352 . . . . 6.75 111.316 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.88 90.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 8.71 111.036 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.35 94.01 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 9.33 110.907 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -146.54 123.51 11.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 8.06 110.826 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.5 m 50.86 39.85 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 10.62 110.816 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m 54.01 76.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 12.39 110.845 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.89 107.5 0.54 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 13.38 112.543 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 t -96.54 -25.65 15.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 15.12 110.822 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 m -129.39 80.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 17.13 111.005 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 t -108.47 26.82 10.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 18.09 110.755 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -175.94 156.98 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 18.86 110.82 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -145.12 -54.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 20.46 110.959 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 21.1 110.958 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.711 0.291 . . . . 8.83 111.197 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.29 165.12 7.74 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.61 2.206 . . . . 6.96 112.032 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.68 78.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 4.04 111.137 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -27.61 65.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 6.06 110.508 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.0 m -52.91 -60.33 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 1.69 110.889 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -69.08 -30.15 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 4.2 110.813 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.0 -54.33 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 3.39 110.914 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.494 HG23 HD22 ' A' ' 9' ' ' LEU . 2.4 t -64.55 -43.08 95.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.438 . . . . 1.44 110.498 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.494 HD22 HG23 ' A' ' 8' ' ' THR . 2.8 mm? -60.7 -39.66 89.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 2.06 110.841 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.45 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.28 111.054 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.39 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 3.15 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.5 153.42 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 2.2 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -66.77 0.39 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 3.39 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.1 175.3 6.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 4.39 111.169 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.88 24.75 30.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 3.16 112.476 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' SER . 24.6 m-85 -96.91 170.05 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 7.33 110.984 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.9 78.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 2.92 110.831 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.2 t -72.52 -63.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 3.78 110.74 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.42 -60.03 0.1 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.61 -0.805 . . . . 0.91 112.632 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' MET . 1.7 m -100.9 -37.25 8.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.806 0.336 . . . . 1.11 111.226 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 18.7 m -48.91 -50.63 34.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.368 -0.378 . . . . 1.24 111.253 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.44 62.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 1.67 111.767 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.75 -64.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 2.01 111.038 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -54.12 -49.46 69.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 3.89 111.188 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HB2' HD21 ' A' ' 9' ' ' LEU . 8.5 t80 -55.01 -67.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 3.0 111.233 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.16 -53.99 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 1.33 111.702 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -60.4 -25.84 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 2.28 111.362 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' MET . 4.5 t -86.02 -58.4 2.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.38 -0.373 . . . . 0.99 110.998 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -87.55 -83.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 2.8 110.904 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.2 28.45 3.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.887 -0.673 . . . . 3.23 112.421 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.3 mm -131.22 92.19 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 6.75 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.12 26.66 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 8.71 110.92 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 m170 62.59 30.75 17.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 9.33 110.869 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.17 153.66 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 8.06 110.959 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -162.82 157.53 21.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 10.62 110.904 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m -97.94 86.01 3.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 12.39 110.944 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.91 87.25 1.99 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 13.38 112.641 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 m -92.93 166.31 12.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 15.12 110.965 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -134.69 -67.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 17.13 110.927 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.0 p -52.24 -28.4 18.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 18.09 110.865 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -80.05 154.02 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 18.86 111.061 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -154.9 136.55 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 20.46 110.815 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 21.1 110.844 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.706 0.289 . . . . 8.83 111.257 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.87 137.53 24.61 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.576 2.184 . . . . 6.96 112.366 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.2 39.14 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 4.04 110.972 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -37.38 86.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 6.06 111.03 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.94 -31.98 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 1.69 111.037 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 4.2 110.704 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -69.83 -41.27 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 3.39 110.502 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.867 HG21 ' CB ' ' A' ' 24' ' ' MET . 24.1 m -59.47 -42.03 91.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 1.44 110.751 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' A' ' 25' ' ' TYR . 2.1 mm? -83.58 -46.4 12.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 2.06 111.373 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.08 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.373 . . . . 1.28 111.224 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.8 mmm -83.7 -48.49 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 3.15 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -50.0 53.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 2.2 110.984 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . 106.87 18.9 10.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 3.39 112.572 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 68.44 151.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 4.39 111.146 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.37 67.94 1.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 3.16 112.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -162.18 163.26 28.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 7.33 110.892 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -161.27 53.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 2.92 110.989 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -34.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 3.78 110.892 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.67 -83.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.599 -0.81 . . . . 0.91 112.804 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' MET . 0.2 OUTLIER -66.66 -42.75 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 1.11 111.29 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 76.7 m -45.5 -52.02 10.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 1.24 111.509 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.61 -42.45 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.446 -0.343 . . . . 1.67 111.435 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -66.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.511 -0.313 . . . . 2.01 111.324 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.867 ' CB ' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -48.58 -31.71 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 3.89 110.87 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.72 ' HB2' HD11 ' A' ' 9' ' ' LEU . 50.1 t80 -63.46 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 3.0 110.398 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -36.9 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.559 . . . . 1.33 110.96 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -51.59 -31.81 26.24 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.549 0.69 . . . . 2.28 109.251 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 6.4 t -100.21 -25.94 14.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.842 -1.072 . . . . 0.99 109.37 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 32.0 t80 78.55 121.05 0.05 Allowed 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.416 -0.811 . . . . 2.8 111.306 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.04 173.91 0.57 Allowed Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.558 -0.746 . . . . 3.23 112.527 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -145.85 62.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 6.75 110.951 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.11 41.39 2.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 8.71 111.022 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 66.92 97.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 9.33 110.887 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -126.75 106.59 9.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 8.06 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -146.76 85.67 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 10.62 110.86 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 54.66 63.76 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 12.39 110.864 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.17 -60.57 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.724 -0.75 . . . . 13.38 112.632 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -64.67 153.49 39.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 15.12 110.904 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -154.72 -61.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 17.13 110.876 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.4 -46.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 18.09 110.887 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -70.45 131.09 43.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 18.86 110.929 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.6 m170 51.02 75.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 20.46 110.898 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 21.1 110.941 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.511 0.196 . . . . 8.83 111.088 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.53 -168.83 0.61 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.531 2.154 . . . . 6.96 112.554 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.426 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -158.0 96.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 4.04 111.163 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.21 58.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 6.06 111.511 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.2 m -53.35 -77.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.919 0.39 . . . . 1.69 111.162 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.498 ' CD2' ' N ' ' A' ' 7' ' ' TYR . 65.0 p-90 -45.99 -44.3 14.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 4.2 111.36 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.498 ' N ' ' CD2' ' A' ' 6' ' ' TRP . 8.6 t80 -45.84 -50.23 14.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.34 -0.391 . . . . 3.39 111.014 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.724 HG21 ' HB2' ' A' ' 24' ' ' MET . 17.6 m -58.33 -36.66 73.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 1.44 110.434 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.519 HD21 ' HD1' ' A' ' 25' ' ' TYR . 3.9 mp -76.67 -45.92 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 2.06 111.523 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.83 -57.26 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 1.28 111.468 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 mtt -77.24 -14.06 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 3.15 111.485 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 37.5 t -48.63 151.97 1.05 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.053 0.454 . . . . 2.2 111.179 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -124.35 73.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.004 -0.617 . . . . 3.39 111.789 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 75.56 69.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 4.39 110.517 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.82 122.97 5.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.043 -0.599 . . . . 3.16 113.187 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 172.12 86.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 7.33 110.831 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 48.68 48.78 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 2.92 111.042 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 t -99.17 -69.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 3.78 110.997 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.9 -88.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.535 -0.84 . . . . 0.91 112.89 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.494 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -75.34 -40.07 58.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 1.11 111.235 -179.616 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 21.8 m -50.8 -69.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 1.24 111.382 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -50.75 -30.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.386 . . . . 1.67 111.609 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.1 -73.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 2.01 111.413 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.724 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -48.03 -49.45 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 3.89 111.14 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.519 ' HD1' HD21 ' A' ' 9' ' ' LEU . 65.6 t80 -51.36 -69.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 3.0 110.772 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -47.29 -53.59 13.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.707 -0.678 . . . . 1.33 111.173 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -51.48 -60.18 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 2.28 110.829 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 t -56.23 -44.42 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.99 110.803 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -114.82 84.19 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 2.8 110.727 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.47 2.99 87.45 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.864 -0.684 . . . . 3.23 113.077 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mt 51.18 81.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.815 0.34 . . . . 6.75 111.277 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -128.05 57.31 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 8.71 110.835 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -172.16 52.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 9.33 110.95 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.27 159.29 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 8.06 110.927 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.98 117.75 23.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 10.62 110.883 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.77 -73.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 12.39 110.937 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.01 -97.86 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.688 -0.767 . . . . 13.38 112.535 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t 69.54 -67.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 15.12 110.852 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 t -175.49 75.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 17.13 110.896 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -122.81 -47.1 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 18.09 110.826 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -127.38 139.03 53.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 18.86 110.903 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -102.36 44.7 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.483 . . . . 20.46 110.966 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 21.1 110.91 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 44' ' ' NAG . . . . . 0.425 ' H61' ' O3 ' ' A' ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.711 0.291 . . . . 8.83 111.195 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.26 153.09 61.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.55 2.166 . . . . 6.96 112.308 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.82 39.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 4.04 111.314 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.441 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 18.1 p-90 -101.95 27.66 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 6.06 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -61.71 -61.66 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 1.69 110.68 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.528 ' CE3' ' N ' ' A' ' 7' ' ' TYR . 49.4 p-90 -48.5 -34.73 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 4.2 110.741 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -53.34 -57.56 10.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 3.39 109.848 179.192 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.891 HG21 ' CB ' ' A' ' 24' ' ' MET . 21.3 m -49.49 -32.79 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.56 -0.745 . . . . 1.44 110.255 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm? -81.11 -38.59 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 2.06 110.898 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.94 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 1.28 111.119 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.4 ptm -78.3 0.83 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 3.15 111.73 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.87 -58.07 3.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.844 0.354 . . . . 2.2 110.951 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . 94.34 31.78 7.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 3.39 112.495 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 67.14 69.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 4.39 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.14 129.61 5.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.85 -0.691 . . . . 3.16 112.386 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -82.45 106.2 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 7.33 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t0 53.33 84.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 2.92 110.856 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 t -112.07 -34.44 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 3.78 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.8 -86.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.549 -0.834 . . . . 0.91 112.817 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.455 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -78.46 -29.22 46.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.895 0.379 . . . . 1.11 110.974 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -49.03 -69.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 1.24 111.296 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -35.2 62.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 1.67 111.87 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -77.97 -73.0 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.646 0.26 . . . . 2.01 111.526 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.891 ' CB ' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.56 -43.24 16.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 3.89 111.304 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 70.7 t80 -49.05 -76.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.056 0.455 . . . . 3.0 110.56 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -54.27 -33.63 59.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 1.33 110.442 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -52.78 -40.74 63.47 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.371 -0.603 . . . . 2.28 109.371 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 7.2 t -86.76 -25.34 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.084 -0.962 . . . . 0.99 109.429 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 76.8 t80 68.5 95.31 0.07 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.537 -0.756 . . . . 2.8 111.598 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.24 101.77 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.071 -0.968 . . . . 3.23 113.231 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.727 ' O ' HD12 ' A' ' 31' ' ' ILE . 1.6 pp -88.8 57.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 6.75 110.984 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -118.98 39.34 3.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.495 . . . . 8.71 110.989 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.0 t60 51.31 65.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 9.33 110.995 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -165.22 100.5 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 8.06 110.841 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -129.48 45.03 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 10.62 111.017 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.35 102.72 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 12.39 110.857 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.12 156.55 7.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.762 . . . . 13.38 112.461 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.77 81.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 15.12 110.831 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -124.88 68.98 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.086 -0.506 . . . . 17.13 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -50.75 62.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 18.09 110.925 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -93.89 128.52 40.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 18.86 110.882 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.69 -173.69 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 20.46 110.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 21.1 110.999 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 45' ' ' NAG . . . . . 0.41 ' O7 ' ' O3 ' ' A' ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.775 0.322 . . . . 8.83 111.253 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.79 113.09 3.71 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.587 2.192 . . . . 6.96 112.283 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.25 77.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 4.04 111.107 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -46.63 -27.21 1.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 6.06 111.31 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' O ' ' HB ' ' A' ' 8' ' ' THR . 20.3 p -50.39 -41.31 51.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 1.69 111.355 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -58.12 -43.68 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.758 0.313 . . . . 4.2 110.795 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.421 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -58.03 -35.01 70.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 3.39 110.5 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.631 HG23 ' HB ' ' A' ' 20' ' ' THR . 1.3 m -62.26 -38.54 89.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.44 109.821 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.6 mm? -74.95 -40.54 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 2.06 111.008 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.0 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 1.28 111.184 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.0 mmm -110.13 26.43 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 3.15 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -61.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 2.2 110.95 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.02 35.4 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 3.39 112.581 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.36 172.44 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 4.39 111.079 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 16' ' ' TYR . . . -54.79 -50.0 59.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.831 -0.699 . . . . 3.16 112.576 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 5.6 t80 171.53 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.263 0.554 . . . . 7.33 111.004 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.95 69.17 1.03 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.339 -0.846 . . . . 2.92 111.059 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.24 -50.28 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 3.78 110.758 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.42 -65.73 0.13 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.686 -0.768 . . . . 0.91 112.72 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.631 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -84.07 -45.61 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 1.11 111.053 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 51.6 m -46.33 -64.51 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 1.24 111.415 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.07 -27.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.403 . . . . 1.67 111.578 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -69.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 2.01 111.085 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.594 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -52.74 -42.27 64.76 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.194 -0.457 . . . . 3.89 111.406 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.0 t80 -62.07 -68.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 3.0 111.056 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -38.55 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 1.33 111.223 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -72.76 -54.08 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 2.28 111.197 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -59.5 -57.55 12.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.99 111.254 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -21.96 60.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 2.8 111.266 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.37 -175.73 14.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.651 -0.785 . . . . 3.23 112.434 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.07 71.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 6.75 111.198 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -107.78 55.4 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 8.71 110.8 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -118.31 43.1 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 9.33 111.092 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -157.74 77.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 8.06 110.908 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 m -126.27 49.53 1.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 10.62 110.968 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.25 74.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 12.39 110.909 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.37 145.34 38.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 13.38 112.486 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p -68.31 -27.97 66.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 15.12 110.857 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 p -179.87 73.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 17.13 110.807 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m 51.02 71.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 18.09 110.785 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.54 -69.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 18.86 111.052 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -84.99 -46.8 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 20.46 110.996 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.099 -0.501 . . . . 21.1 110.994 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.433 ' HG3' ' HD2' ' A' ' 2' ' ' PRO . 11.9 ttmt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.689 0.281 . . . . 8.83 111.139 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.433 ' HD2' ' HG3' ' A' ' 1' ' ' LYS . 48.0 Cg_exo -55.86 88.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.519 2.146 . . . . 6.96 112.481 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.15 65.41 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 4.04 110.748 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -51.29 -22.88 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 6.06 111.676 -179.618 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.774 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 p -45.98 -51.48 13.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.611 0.244 . . . . 1.69 111.431 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -37.85 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 4.2 110.58 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -55.91 -41.96 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 3.39 110.564 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 5' ' ' CYS . 0.9 OUTLIER -61.23 -36.67 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.44 110.119 179.653 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 25' ' ' TYR . 8.5 mp -67.25 -35.9 80.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.635 . . . . 2.06 110.633 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.97 92.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 1.28 110.636 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mtm -82.43 -17.4 45.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 3.15 111.075 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -47.09 172.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.586 -0.279 . . . . 2.2 111.18 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.84 -68.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 3.39 112.508 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 4.39 111.097 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.37 -124.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 3.16 112.586 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -109.94 150.79 27.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 7.33 110.998 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 63.42 83.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 2.92 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -125.91 -59.67 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.482 . . . . 3.78 110.931 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.34 -73.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.91 112.636 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 24' ' ' MET . 0.4 OUTLIER -68.91 -58.26 4.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.723 0.297 . . . . 1.11 111.081 -179.766 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -44.08 -51.4 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.24 111.568 -179.668 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -69.42 -54.57 13.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.389 . . . . 1.67 111.169 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -57.18 -68.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 2.01 111.631 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -47.17 -62.41 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 3.89 111.417 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.48 ' HB2' HD11 ' A' ' 9' ' ' LEU . 4.5 t80 -51.18 -63.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 3.0 111.113 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 72.2 m -43.51 -52.35 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 1.33 111.741 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.43 -31.53 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 2.28 111.26 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 47.5 t -78.5 -27.04 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.778 0.323 . . . . 0.99 110.93 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -94.48 -22.5 18.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 2.8 111.097 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.5 103.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 3.23 112.455 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.7 mt -124.71 82.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 6.75 111.117 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -133.28 40.63 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 8.71 110.795 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -129.26 36.88 4.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 9.33 110.988 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.26 146.21 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 8.06 110.802 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 t 63.8 41.55 6.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 10.62 110.779 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -156.69 65.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 12.39 110.849 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.1 -75.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 13.38 112.44 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.19 49.68 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.914 0.387 . . . . 15.12 110.818 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 p -108.18 -30.94 8.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 17.13 111.072 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 p 54.77 95.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 18.09 110.9 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -107.33 -54.8 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 18.86 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -163.21 36.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 20.46 110.889 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 21.1 110.861 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.1 tptm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.756 0.312 . . . . 8.83 111.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -57.4 144.24 92.06 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.589 2.192 . . . . 6.96 112.497 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 6' ' ' TRP . . . -151.67 78.65 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 4.04 110.804 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -44.41 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 6.06 111.103 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.82 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.69 111.004 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 1.4 p-90 -47.47 -38.69 14.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.391 -0.368 . . . . 4.2 110.979 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.92 -52.4 57.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 3.39 110.471 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 20' ' ' THR . 12.4 m -57.67 -27.36 62.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 1.44 110.367 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.63 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -79.1 -55.98 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 2.06 110.553 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.98 -31.07 2.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 1.28 111.537 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -27.04 29.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 3.15 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LEU . 52.9 t -55.03 155.19 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 2.2 111.04 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.77 74.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.941 -0.647 . . . . 3.39 112.298 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 18' ' ' SER . . . -153.1 40.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 4.39 111.267 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' N ' ' H2 ' ' A' ' 44' ' ' NAG . . . 54.08 -156.61 6.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 3.16 112.683 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.46 ' CD1' ' O ' ' A' ' 16' ' ' TYR . 7.3 p90 -49.85 141.98 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 7.33 110.924 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 50.91 44.97 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 2.92 110.744 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 38.3 m -49.0 -28.14 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 3.78 111.172 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.56 -37.36 3.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.747 . . . . 0.91 111.988 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 8' ' ' THR . 0.5 OUTLIER -91.0 -42.75 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 1.11 110.534 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.1 m -66.42 -51.03 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 1.24 110.534 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -55.56 -42.17 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 1.67 110.646 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -56.2 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 2.01 110.483 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.456 ' HG3' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.77 -64.1 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.487 . . . . 3.89 111.171 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -47.91 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.691 -0.686 . . . . 3.0 111.612 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -34.67 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 1.33 111.635 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -83.04 -68.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 2.28 111.563 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' MET . 1.8 t -45.85 -43.68 13.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 0.99 111.316 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 14.3 m-85 -86.87 -26.28 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 2.8 111.037 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.94 162.26 36.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 3.23 112.592 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.43 ' O ' HG22 ' A' ' 31' ' ' ILE . 58.0 mt -92.43 66.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.806 0.336 . . . . 6.75 111.11 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 50.35 89.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 8.71 110.9 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -103.25 32.16 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 9.33 110.958 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -177.88 57.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 8.06 111.049 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.0 t -65.7 89.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 10.62 110.715 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.8 t 58.63 -179.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 12.39 110.837 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.73 -101.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.807 -0.711 . . . . 13.38 112.451 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.9 t -165.8 92.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 15.12 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.8 t -167.42 102.23 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 17.13 110.936 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -28.19 20.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 18.09 110.863 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.82 141.08 29.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 18.86 110.924 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -85.86 -43.06 13.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 20.46 110.86 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 21.1 110.824 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 44' ' ' NAG . . . . . 0.409 ' H2 ' ' N ' ' A' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.674 0.273 . . . . 8.83 111.163 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.65 159.9 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.575 2.184 . . . . 6.96 112.517 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.47 86.22 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 4.04 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -36.43 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 6.06 110.458 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.5 m -67.77 -51.26 51.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.69 110.613 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 4.2 110.914 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 7.8 t80 -67.97 -44.95 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 3.39 110.514 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.805 HG21 ' HB2' ' A' ' 24' ' ' MET . 20.3 m -61.26 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.44 110.491 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mp -73.02 -36.93 67.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 2.06 111.045 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.97 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.28 111.252 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mmt -115.37 39.35 2.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 3.15 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.64 -85.78 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.292 -0.413 . . . . 2.2 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.95 31.42 7.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 3.39 112.681 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' OG ' ' A' ' 18' ' ' SER . . . -102.5 173.54 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 4.39 111.206 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.14 -146.38 20.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.805 -0.712 . . . . 3.16 112.507 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -48.71 129.18 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 7.33 110.985 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.49 64.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 2.92 110.766 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.528 ' OG ' ' HB3' ' A' ' 14' ' ' ALA . 18.1 m -50.14 -31.02 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 3.78 111.05 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.26 -50.18 1.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.91 112.459 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -50.44 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 1.11 110.818 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 9.7 m -62.28 -54.54 39.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 1.24 111.061 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -25.15 1.78 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.32 -0.4 . . . . 1.67 111.383 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -95.94 -59.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 2.01 111.382 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.805 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -64.98 -45.19 86.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 3.89 111.129 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.52 ' CD2' ' H81' ' A' ' 44' ' ' NAG . 0.7 OUTLIER -58.15 -62.55 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 3.0 110.837 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -31.47 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.605 . . . . 1.33 111.267 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.05 -29.53 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 2.28 111.208 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.08 -31.86 63.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.99 110.958 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -115.32 41.44 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 2.8 110.889 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.45 0.09 89.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.611 -0.804 . . . . 3.23 113.033 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mt 56.03 85.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.86 0.362 . . . . 6.75 111.349 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -106.17 16.19 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 8.71 111.259 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -136.58 53.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.718 0.294 . . . . 9.33 110.771 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -146.45 34.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 8.06 111.102 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.18 167.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 10.62 111.088 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -110.16 -77.29 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 12.39 110.843 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.11 170.68 33.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.763 -0.732 . . . . 13.38 112.574 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -118.98 175.0 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 15.12 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -156.09 -45.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 17.13 111.004 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p -121.43 50.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 18.09 110.938 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -39.42 8.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 18.86 110.859 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -85.69 77.23 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 20.46 110.804 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 21.1 110.824 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 44' ' ' NAG . . . . . 0.52 ' H81' ' CD2' ' A' ' 25' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.742 0.306 . . . . 8.83 111.2 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -48.26 149.59 6.18 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.597 2.198 . . . . 6.96 112.456 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.4 47.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 4.04 111.199 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.446 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 16.4 p-90 -108.26 31.77 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 6.06 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.91 -59.36 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.69 110.697 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -51.64 -34.98 40.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.024 0.44 . . . . 4.2 110.386 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -56.74 -44.07 81.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.874 -0.603 . . . . 3.39 109.869 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.819 HG22 ' SG ' ' A' ' 21' ' ' CYS . 18.0 m -57.32 -39.0 74.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.658 -0.701 . . . . 1.44 110.174 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.52 HD21 ' CE1' ' A' ' 25' ' ' TYR . 6.9 mp -69.86 -48.03 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 2.06 110.932 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -25.86 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 1.28 111.098 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -24.0 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 3.15 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 179.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 2.2 110.993 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 56.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 3.39 112.377 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.19 36.96 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.317 . . . . 4.39 111.178 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.54 -135.84 18.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.811 -0.709 . . . . 3.16 112.633 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -55.6 149.72 13.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 7.33 110.931 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t70 51.22 68.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 2.92 110.913 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -50.86 -46.85 60.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 3.78 110.827 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.41 -45.61 1.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.91 112.634 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.56 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -105.23 -62.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.734 0.302 . . . . 1.11 111.017 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.819 ' SG ' HG22 ' A' ' 8' ' ' THR . 24.3 m -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 1.24 110.963 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.76 -17.03 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.86 -0.336 . . . . 1.67 110.979 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.65 -32.83 6.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.81 0.338 . . . . 2.01 111.142 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.446 ' SD ' ' CZ3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -93.57 -50.4 5.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.213 -0.449 . . . . 3.89 109.898 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.52 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -56.05 -45.17 79.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 3.0 110.871 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.13 -47.84 53.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.33 110.851 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -83.77 -29.21 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 2.28 110.795 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.85 -37.08 85.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.99 110.603 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -103.79 -22.44 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 2.8 111.018 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.74 127.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 3.23 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.14 69.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 6.75 111.06 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -175.89 98.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 8.71 110.777 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -86.03 59.6 5.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 9.33 111.087 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -77.19 73.13 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 8.06 110.85 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 m -68.5 87.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 10.62 111.021 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 m -159.73 107.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 12.39 110.838 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.64 -51.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 13.38 112.494 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 39' ' ' SER . 96.8 p -161.51 -77.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 15.12 110.899 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.416 ' N ' ' OG ' ' A' ' 38' ' ' SER . 1.1 p -171.33 59.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 17.13 110.898 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.0 t -166.39 88.55 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 18.09 110.84 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.77 172.44 13.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 18.86 110.91 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -134.42 140.13 46.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 20.46 110.822 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 21.1 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.55 ' HB1' ' CZ2' ' A' ' 6' ' ' TRP . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.817 0.341 . . . . 4.04 111.225 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CZ3' ' SG ' ' A' ' 5' ' ' CYS . 6.5 p-90 -114.68 -26.53 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 6.0599999999999996 111.131 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.416 ' SG ' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -62.5 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 1.6899999999999999 110.906 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.55 ' CZ2' ' HB1' ' A' ' 3' ' ' ALA . 66.2 p-90 -49.78 -32.49 14.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.366 -0.379 . . . . 4.2000000000000002 110.779 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.55 -47.85 78.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 3.3900000000000001 109.864 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 24' ' ' MET . 9.6 m -57.19 -33.66 67.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.556 -0.747 . . . . 1.4399999999999999 110.051 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 25' ' ' TYR . 1.7 mm? -80.06 -40.29 27.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 2.0600000000000001 111.284 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -50.94 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 1.28 111.249 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -25.3 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 3.1499999999999999 110.945 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -58.28 -67.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 2.2000000000000002 110.724 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.84 -63.25 0.28 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.746 -0.74 . . . . 3.3900000000000001 112.511 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.36 44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 4.3899999999999997 111.069 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.81 154.16 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.73 -0.748 . . . . 3.1600000000000001 112.573 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -125.41 16.83 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 7.3300000000000001 111.445 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.17 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 2.9199999999999999 110.809 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -79.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 3.7799999999999998 111.086 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.14 -76.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.57 -0.824 . . . . 0.91000000000000003 112.801 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.417 HG23 ' HE1' ' A' ' 24' ' ' MET . 0.2 OUTLIER -64.02 -53.91 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 1.1100000000000001 111.149 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 37.7 m -52.66 -67.13 0.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 1.24 111.456 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -45.63 -27.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 1.6699999999999999 111.657 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -91.56 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.538 -0.301 . . . . 2.0099999999999998 111.232 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.576 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -53.47 -44.57 69.05 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.385 -0.371 . . . . 3.8900000000000001 111.281 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.839 ' CG ' HD11 ' A' ' 9' ' ' LEU . 8.0 t80 -56.83 -64.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.078 0.466 . . . . 3.0 110.623 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -46.43 -53.89 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.3300000000000001 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -59.56 -36.41 76.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 2.2799999999999998 110.82 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -33.13 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.98999999999999999 110.751 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 2.7999999999999998 110.788 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.78 0.324 . . . . 4.04 111.103 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 6.8 p-90 -111.8 34.28 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 6.0599999999999996 110.975 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.3 m -52.66 -68.77 0.14 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.6899999999999999 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -49.76 -30.57 9.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.977 0.418 . . . . 4.2000000000000002 110.498 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -49.2 73.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.575 . . . . 3.3900000000000001 109.57 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.774 HG21 ' HB2' ' A' ' 24' ' ' MET . 13.8 m -55.91 -35.65 66.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 1.4399999999999999 109.779 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.4 mm? -72.15 -42.91 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 2.0600000000000001 110.902 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -50.53 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.28 111.124 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -22.91 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 3.1499999999999999 111.087 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.57 170.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 2.2000000000000002 111.036 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -88.6 51.86 3.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 3.3900000000000001 112.615 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 69.63 -69.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 4.3899999999999997 111.096 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.49 -179.3 10.23 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.604 -0.808 . . . . 3.1600000000000001 112.428 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -118.07 174.49 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 7.3300000000000001 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.0 t0 60.68 65.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 2.9199999999999999 111.055 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.71 -42.86 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 3.7799999999999998 111.015 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.63 -85.62 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.64 -0.79 . . . . 0.91000000000000003 112.747 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.428 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -67.69 -34.42 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.1100000000000001 111.032 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -51.08 -67.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 1.24 111.248 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -26.39 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 1.6699999999999999 111.648 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -82.09 -73.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 2.0099999999999998 111.152 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.774 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -50.26 -53.19 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 3.8900000000000001 111.256 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 2.8 t80 -52.03 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 3.0 111.066 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -62.03 1.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.3300000000000001 111.198 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -46.19 18.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 2.2799999999999998 111.506 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -52.05 -31.59 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.98999999999999999 111.13 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 2.7999999999999998 110.943 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.865 0.364 . . . . 4.04 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -2.55 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 6.0599999999999996 112.008 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' O ' HD23 ' A' ' 9' ' ' LEU . 34.0 m -60.26 -72.52 0.11 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.782 0.325 . . . . 1.6899999999999999 111.083 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.489 ' CZ2' ' CE2' ' A' ' 7' ' ' TYR . 64.1 p-90 -48.45 -35.46 12.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.779 0.323 . . . . 4.2000000000000002 111.188 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CE2' ' CZ2' ' A' ' 6' ' ' TRP . 0.8 OUTLIER -49.77 -53.5 24.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.984 0.421 . . . . 3.3900000000000001 110.535 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.805 HG23 ' HB ' ' A' ' 20' ' ' THR . 6.5 m -59.07 -33.09 70.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.636 . . . . 1.4399999999999999 110.391 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 4.0 mm? -74.49 -41.82 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 2.0600000000000001 111.324 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.77 88.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 1.28 111.19 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.6 mtp -64.31 -27.25 68.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 3.1499999999999999 111.021 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -51.76 -74.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 2.2000000000000002 110.823 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.75 -27.39 18.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 3.3900000000000001 112.582 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.1 -44.95 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 4.3899999999999997 111.137 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.66 24.68 7.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 3.1600000000000001 112.455 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -177.86 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 7.3300000000000001 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' A' ' 22' ' ' ASP . 70.3 m-20 -91.51 49.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 2.9199999999999999 110.793 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.2 t -49.58 -54.11 20.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 3.7799999999999998 111.056 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.48 -58.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.601 -0.809 . . . . 0.91000000000000003 112.819 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.805 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -80.74 -45.26 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 1.1100000000000001 111.175 -179.649 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.514 ' HA ' HG22 ' A' ' 8' ' ' THR . 22.0 m -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 1.24 111.468 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 19.7 t0 -60.16 -38.68 83.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.6699999999999999 111.774 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.69 -71.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 2.0099999999999998 111.587 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.75 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.36 -49.27 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 3.8900000000000001 111.539 -179.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 21.7 t80 -55.78 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 3.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -49.64 -30.25 8.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 1.3300000000000001 111.177 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -75.6 -54.51 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 2.2799999999999998 110.946 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.62 -36.01 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.98999999999999999 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 2.7999999999999998 110.92 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.832 0.349 . . . . 4.04 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -27.61 65.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 6.0599999999999996 110.508 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.0 m -52.91 -60.33 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 1.6899999999999999 110.889 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -69.08 -30.15 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 4.2000000000000002 110.813 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.0 -54.33 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 3.3900000000000001 110.914 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.494 HG23 HD22 ' A' ' 9' ' ' LEU . 2.4 t -64.55 -43.08 95.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.438 . . . . 1.4399999999999999 110.498 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.494 HD22 HG23 ' A' ' 8' ' ' THR . 2.8 mm? -60.7 -39.66 89.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 2.0600000000000001 110.841 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.45 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.28 111.054 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.39 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 3.1499999999999999 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.5 153.42 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 2.2000000000000002 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -66.77 0.39 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 3.3900000000000001 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.1 175.3 6.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 4.3899999999999997 111.169 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.88 24.75 30.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 3.1600000000000001 112.476 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' SER . 24.6 m-85 -96.91 170.05 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 7.3300000000000001 110.984 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.9 78.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 2.9199999999999999 110.831 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.2 t -72.52 -63.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 3.7799999999999998 110.74 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.42 -60.03 0.1 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.61 -0.805 . . . . 0.91000000000000003 112.632 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' MET . 1.7 m -100.9 -37.25 8.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.806 0.336 . . . . 1.1100000000000001 111.226 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 18.7 m -48.91 -50.63 34.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.368 -0.378 . . . . 1.24 111.253 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.44 62.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 1.6699999999999999 111.767 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.75 -64.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 2.0099999999999998 111.038 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -54.12 -49.46 69.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 3.8900000000000001 111.188 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HB2' HD21 ' A' ' 9' ' ' LEU . 8.5 t80 -55.01 -67.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 3.0 111.233 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.16 -53.99 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 1.3300000000000001 111.702 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -60.4 -25.84 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 2.2799999999999998 111.362 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' MET . 4.5 t -86.02 -58.4 2.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.38 -0.373 . . . . 0.98999999999999999 110.998 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 2.7999999999999998 110.904 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.875 0.369 . . . . 4.04 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -37.38 86.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 6.0599999999999996 111.03 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.94 -31.98 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 1.6899999999999999 111.037 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 4.2000000000000002 110.704 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -69.83 -41.27 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 3.3900000000000001 110.502 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.867 HG21 ' CB ' ' A' ' 24' ' ' MET . 24.1 m -59.47 -42.03 91.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 1.4399999999999999 110.751 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' A' ' 25' ' ' TYR . 2.1 mm? -83.58 -46.4 12.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 2.0600000000000001 111.373 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.08 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.373 . . . . 1.28 111.224 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.8 mmm -83.7 -48.49 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 3.1499999999999999 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -50.0 53.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 2.2000000000000002 110.984 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . 106.87 18.9 10.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 3.3900000000000001 112.572 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 68.44 151.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 4.3899999999999997 111.146 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.37 67.94 1.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 3.1600000000000001 112.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -162.18 163.26 28.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 7.3300000000000001 110.892 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -161.27 53.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 2.9199999999999999 110.989 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -34.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 3.7799999999999998 110.892 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.67 -83.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.599 -0.81 . . . . 0.91000000000000003 112.804 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' MET . 0.2 OUTLIER -66.66 -42.75 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 1.1100000000000001 111.29 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 76.7 m -45.5 -52.02 10.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 1.24 111.509 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.61 -42.45 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.446 -0.343 . . . . 1.6699999999999999 111.435 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -66.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.511 -0.313 . . . . 2.0099999999999998 111.324 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.867 ' CB ' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -48.58 -31.71 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 3.8900000000000001 110.87 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.72 ' HB2' HD11 ' A' ' 9' ' ' LEU . 50.1 t80 -63.46 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 3.0 110.398 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -36.9 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.559 . . . . 1.3300000000000001 110.96 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -51.59 -31.81 26.24 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.549 0.69 . . . . 2.2799999999999998 109.251 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 6.4 t -100.21 -25.94 14.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.842 -1.072 . . . . 0.98999999999999999 109.37 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 32.0 t80 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-N 115.416 -0.811 . . . . 2.7999999999999998 111.306 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.426 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.893 0.378 . . . . 4.04 111.163 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.21 58.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 6.0599999999999996 111.511 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.2 m -53.35 -77.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.919 0.39 . . . . 1.6899999999999999 111.162 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.498 ' CD2' ' N ' ' A' ' 7' ' ' TYR . 65.0 p-90 -45.99 -44.3 14.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 4.2000000000000002 111.36 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.498 ' N ' ' CD2' ' A' ' 6' ' ' TRP . 8.6 t80 -45.84 -50.23 14.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.34 -0.391 . . . . 3.3900000000000001 111.014 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.724 HG21 ' HB2' ' A' ' 24' ' ' MET . 17.6 m -58.33 -36.66 73.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 1.4399999999999999 110.434 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.519 HD21 ' HD1' ' A' ' 25' ' ' TYR . 3.9 mp -76.67 -45.92 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 2.0600000000000001 111.523 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.83 -57.26 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 1.28 111.468 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 mtt -77.24 -14.06 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 3.1499999999999999 111.485 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 37.5 t -48.63 151.97 1.05 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.053 0.454 . . . . 2.2000000000000002 111.179 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -124.35 73.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.004 -0.617 . . . . 3.3900000000000001 111.789 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 75.56 69.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 4.3899999999999997 110.517 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.82 122.97 5.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.043 -0.599 . . . . 3.1600000000000001 113.187 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 172.12 86.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 7.3300000000000001 110.831 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 48.68 48.78 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 2.9199999999999999 111.042 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 t -99.17 -69.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 3.7799999999999998 110.997 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.9 -88.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.535 -0.84 . . . . 0.91000000000000003 112.89 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.494 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -75.34 -40.07 58.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 1.1100000000000001 111.235 -179.616 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 21.8 m -50.8 -69.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 1.24 111.382 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -50.75 -30.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.386 . . . . 1.6699999999999999 111.609 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.1 -73.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 2.0099999999999998 111.413 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.724 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -48.03 -49.45 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 3.8900000000000001 111.14 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.519 ' HD1' HD21 ' A' ' 9' ' ' LEU . 65.6 t80 -51.36 -69.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 3.0 110.772 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -47.29 -53.59 13.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.707 -0.678 . . . . 1.3300000000000001 111.173 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -51.48 -60.18 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 2.2799999999999998 110.829 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 t -56.23 -44.42 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.98999999999999999 110.803 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 2.7999999999999998 110.727 179.853 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.722 0.296 . . . . 4.04 111.314 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.441 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 18.1 p-90 -101.95 27.66 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 6.0599999999999996 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -61.71 -61.66 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 1.6899999999999999 110.68 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.528 ' CE3' ' N ' ' A' ' 7' ' ' TYR . 49.4 p-90 -48.5 -34.73 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 4.2000000000000002 110.741 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -53.34 -57.56 10.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 3.3900000000000001 109.848 179.192 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.891 HG21 ' CB ' ' A' ' 24' ' ' MET . 21.3 m -49.49 -32.79 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.56 -0.745 . . . . 1.4399999999999999 110.255 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm? -81.11 -38.59 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 2.0600000000000001 110.898 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.94 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 1.28 111.119 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.4 ptm -78.3 0.83 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 3.1499999999999999 111.73 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.87 -58.07 3.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.844 0.354 . . . . 2.2000000000000002 110.951 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . 94.34 31.78 7.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 3.3900000000000001 112.495 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 67.14 69.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 4.3899999999999997 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.14 129.61 5.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.85 -0.691 . . . . 3.1600000000000001 112.386 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -82.45 106.2 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 7.3300000000000001 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t0 53.33 84.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 2.9199999999999999 110.856 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 t -112.07 -34.44 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 3.7799999999999998 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.8 -86.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.549 -0.834 . . . . 0.91000000000000003 112.817 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.455 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -78.46 -29.22 46.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.895 0.379 . . . . 1.1100000000000001 110.974 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -49.03 -69.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 1.24 111.296 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -35.2 62.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 1.6699999999999999 111.87 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -77.97 -73.0 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.646 0.26 . . . . 2.0099999999999998 111.526 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.891 ' CB ' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.56 -43.24 16.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 3.8900000000000001 111.304 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 70.7 t80 -49.05 -76.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.056 0.455 . . . . 3.0 110.56 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -54.27 -33.63 59.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 1.3300000000000001 110.442 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -52.78 -40.74 63.47 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.371 -0.603 . . . . 2.2799999999999998 109.371 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 7.2 t -86.76 -25.34 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.084 -0.962 . . . . 0.98999999999999999 109.429 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 76.8 t80 . . . . . 0 CA--C 1.521 -0.156 0 CA-C-N 115.537 -0.756 . . . . 2.7999999999999998 111.598 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.778 0.323 . . . . 4.04 111.107 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -46.63 -27.21 1.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 6.0599999999999996 111.31 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.447 ' O ' ' HB ' ' A' ' 8' ' ' THR . 20.3 p -50.39 -41.31 51.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 1.6899999999999999 111.355 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -58.12 -43.68 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.758 0.313 . . . . 4.2000000000000002 110.795 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.421 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -58.03 -35.01 70.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 3.3900000000000001 110.5 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.631 HG23 ' HB ' ' A' ' 20' ' ' THR . 1.3 m -62.26 -38.54 89.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.4399999999999999 109.821 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.6 mm? -74.95 -40.54 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 2.0600000000000001 111.008 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.0 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 1.28 111.184 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.0 mmm -110.13 26.43 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 3.1499999999999999 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -61.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 2.2000000000000002 110.95 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.02 35.4 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 3.3900000000000001 112.581 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.36 172.44 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 4.3899999999999997 111.079 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 16' ' ' TYR . . . -54.79 -50.0 59.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.831 -0.699 . . . . 3.1600000000000001 112.576 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 5.6 t80 171.53 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.263 0.554 . . . . 7.3300000000000001 111.004 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.95 69.17 1.03 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.339 -0.846 . . . . 2.9199999999999999 111.059 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.24 -50.28 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 3.7799999999999998 110.758 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.42 -65.73 0.13 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.686 -0.768 . . . . 0.91000000000000003 112.72 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.631 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -84.07 -45.61 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 1.1100000000000001 111.053 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 51.6 m -46.33 -64.51 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 1.24 111.415 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.07 -27.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.403 . . . . 1.6699999999999999 111.578 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -69.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 2.0099999999999998 111.085 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.594 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -52.74 -42.27 64.76 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.194 -0.457 . . . . 3.8900000000000001 111.406 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.438 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.0 t80 -62.07 -68.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 3.0 111.056 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -38.55 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 1.3300000000000001 111.223 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -72.76 -54.08 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 2.2799999999999998 111.197 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -59.5 -57.55 12.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.98999999999999999 111.254 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 2.7999999999999998 111.266 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.864 0.364 . . . . 4.04 110.748 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -51.29 -22.88 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 6.0599999999999996 111.676 -179.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.774 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 p -45.98 -51.48 13.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.611 0.244 . . . . 1.6899999999999999 111.431 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -37.85 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 4.2000000000000002 110.58 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -55.91 -41.96 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 3.3900000000000001 110.564 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 5' ' ' CYS . 0.9 OUTLIER -61.23 -36.67 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.4399999999999999 110.119 179.653 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 25' ' ' TYR . 8.5 mp -67.25 -35.9 80.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.635 . . . . 2.0600000000000001 110.633 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.97 92.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 1.28 110.636 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mtm -82.43 -17.4 45.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 3.1499999999999999 111.075 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -47.09 172.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.586 -0.279 . . . . 2.2000000000000002 111.18 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.84 -68.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 3.3900000000000001 112.508 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 4.3899999999999997 111.097 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.37 -124.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 3.1600000000000001 112.586 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -109.94 150.79 27.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 7.3300000000000001 110.998 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 63.42 83.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 2.9199999999999999 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -125.91 -59.67 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.482 . . . . 3.7799999999999998 110.931 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.34 -73.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.91000000000000003 112.636 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 24' ' ' MET . 0.4 OUTLIER -68.91 -58.26 4.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.723 0.297 . . . . 1.1100000000000001 111.081 -179.766 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -44.08 -51.4 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.24 111.568 -179.668 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -69.42 -54.57 13.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.389 . . . . 1.6699999999999999 111.169 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -57.18 -68.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 2.0099999999999998 111.631 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -47.17 -62.41 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 3.8900000000000001 111.417 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.48 ' HB2' HD11 ' A' ' 9' ' ' LEU . 4.5 t80 -51.18 -63.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 3.0 111.113 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 72.2 m -43.51 -52.35 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 1.3300000000000001 111.741 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.43 -31.53 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 2.2799999999999998 111.26 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 47.5 t -78.5 -27.04 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.778 0.323 . . . . 0.98999999999999999 110.93 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 2.7999999999999998 111.097 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 6' ' ' TRP . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.878 0.37 . . . . 4.04 110.804 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -44.41 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 6.0599999999999996 111.103 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.82 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.6899999999999999 111.004 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 1.4 p-90 -47.47 -38.69 14.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.391 -0.368 . . . . 4.2000000000000002 110.979 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.92 -52.4 57.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 3.3900000000000001 110.471 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 20' ' ' THR . 12.4 m -57.67 -27.36 62.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 1.4399999999999999 110.367 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -79.1 -55.98 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 2.0600000000000001 110.553 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.98 -31.07 2.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 1.28 111.537 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -27.04 29.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 3.1499999999999999 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LEU . 52.9 t -55.03 155.19 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 2.2000000000000002 111.04 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.77 74.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.941 -0.647 . . . . 3.3900000000000001 112.298 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 18' ' ' SER . . . -153.1 40.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 4.3899999999999997 111.267 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.08 -156.61 6.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 3.1600000000000001 112.683 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.46 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 7.3 p90 -49.85 141.98 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 7.3300000000000001 110.924 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 50.91 44.97 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 2.9199999999999999 110.744 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 38.3 m -49.0 -28.14 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 3.7799999999999998 111.172 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.56 -37.36 3.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.747 . . . . 0.91000000000000003 111.988 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 8' ' ' THR . 0.5 OUTLIER -91.0 -42.75 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 1.1100000000000001 110.534 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.1 m -66.42 -51.03 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 1.24 110.534 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -55.56 -42.17 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 1.6699999999999999 110.646 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -56.2 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 2.0099999999999998 110.483 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.456 ' HG3' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.77 -64.1 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.487 . . . . 3.8900000000000001 111.171 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -47.91 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.691 -0.686 . . . . 3.0 111.612 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -34.67 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 1.3300000000000001 111.635 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -83.04 -68.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 2.2799999999999998 111.563 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' MET . 1.8 t -45.85 -43.68 13.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 0.98999999999999999 111.316 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 14.3 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 2.7999999999999998 111.037 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.762 0.315 . . . . 4.04 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -36.43 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 6.0599999999999996 110.458 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.5 m -67.77 -51.26 51.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.6899999999999999 110.613 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 4.2000000000000002 110.914 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 7.8 t80 -67.97 -44.95 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 3.3900000000000001 110.514 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.805 HG21 ' HB2' ' A' ' 24' ' ' MET . 20.3 m -61.26 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.4399999999999999 110.491 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mp -73.02 -36.93 67.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 2.0600000000000001 111.045 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.97 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.28 111.252 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mmt -115.37 39.35 2.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 3.1499999999999999 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.64 -85.78 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.292 -0.413 . . . . 2.2000000000000002 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.95 31.42 7.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 3.3900000000000001 112.681 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' OG ' ' A' ' 18' ' ' SER . . . -102.5 173.54 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 4.3899999999999997 111.206 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.14 -146.38 20.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.805 -0.712 . . . . 3.1600000000000001 112.507 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -48.71 129.18 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 7.3300000000000001 110.985 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.49 64.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 2.9199999999999999 110.766 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.528 ' OG ' ' HB3' ' A' ' 14' ' ' ALA . 18.1 m -50.14 -31.02 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 3.7799999999999998 111.05 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.26 -50.18 1.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.91000000000000003 112.459 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -50.44 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 1.1100000000000001 110.818 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 9.7 m -62.28 -54.54 39.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 1.24 111.061 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -25.15 1.78 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.32 -0.4 . . . . 1.6699999999999999 111.383 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -95.94 -59.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 2.0099999999999998 111.382 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.805 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -64.98 -45.19 86.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 3.8900000000000001 111.129 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 0.7 OUTLIER -58.15 -62.55 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 3.0 110.837 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -31.47 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.605 . . . . 1.3300000000000001 111.267 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.05 -29.53 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 2.2799999999999998 111.208 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.08 -31.86 63.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.98999999999999999 110.958 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 2.7999999999999998 110.889 179.931 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.723 0.296 . . . . 4.04 111.199 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.446 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 16.4 p-90 -108.26 31.77 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 6.0599999999999996 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.91 -59.36 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.6899999999999999 110.697 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -51.64 -34.98 40.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.024 0.44 . . . . 4.2000000000000002 110.386 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -56.74 -44.07 81.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.874 -0.603 . . . . 3.3900000000000001 109.869 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.819 HG22 ' SG ' ' A' ' 21' ' ' CYS . 18.0 m -57.32 -39.0 74.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.658 -0.701 . . . . 1.4399999999999999 110.174 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.52 HD21 ' CE1' ' A' ' 25' ' ' TYR . 6.9 mp -69.86 -48.03 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 2.0600000000000001 110.932 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -25.86 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 1.28 111.098 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -24.0 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 3.1499999999999999 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 179.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 2.2000000000000002 110.993 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 56.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 3.3900000000000001 112.377 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.19 36.96 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.317 . . . . 4.3899999999999997 111.178 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.54 -135.84 18.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.811 -0.709 . . . . 3.1600000000000001 112.633 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -55.6 149.72 13.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 7.3300000000000001 110.931 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t70 51.22 68.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 2.9199999999999999 110.913 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -50.86 -46.85 60.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 3.7799999999999998 110.827 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.41 -45.61 1.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.91000000000000003 112.634 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.56 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -105.23 -62.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.734 0.302 . . . . 1.1100000000000001 111.017 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.819 ' SG ' HG22 ' A' ' 8' ' ' THR . 24.3 m -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 1.24 110.963 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.76 -17.03 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.86 -0.336 . . . . 1.6699999999999999 110.979 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.65 -32.83 6.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.81 0.338 . . . . 2.0099999999999998 111.142 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.446 ' SD ' ' CZ3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -93.57 -50.4 5.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.213 -0.449 . . . . 3.8900000000000001 109.898 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.52 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -56.05 -45.17 79.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 3.0 110.871 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.13 -47.84 53.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.3300000000000001 110.851 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -83.77 -29.21 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 2.2799999999999998 110.795 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.85 -37.08 85.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.98999999999999999 110.603 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 2.7999999999999998 111.018 179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.696 0.284 . . . . 8.8300000000000001 111.263 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.12 177.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.71 2.273 . . . . 6.96 112.459 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.55 ' HB1' ' CZ2' ' A' ' 6' ' ' TRP . . . -168.69 78.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 4.04 111.225 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' CZ3' ' SG ' ' A' ' 5' ' ' CYS . 6.5 p-90 -114.68 -26.53 7.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 6.0599999999999996 111.131 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.416 ' SG ' ' CZ3' ' A' ' 4' ' ' TRP . 0.7 OUTLIER -62.5 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 1.6899999999999999 110.906 -179.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.55 ' CZ2' ' HB1' ' A' ' 3' ' ' ALA . 66.2 p-90 -49.78 -32.49 14.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.366 -0.379 . . . . 4.2000000000000002 110.779 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.55 -47.85 78.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.149 0.499 . . . . 3.3900000000000001 109.864 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 24' ' ' MET . 9.6 m -57.19 -33.66 67.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.556 -0.747 . . . . 1.4399999999999999 110.051 179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.839 HD11 ' CG ' ' A' ' 25' ' ' TYR . 1.7 mm? -80.06 -40.29 27.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.889 -0.596 . . . . 2.0600000000000001 111.284 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.45 -50.94 38.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 1.28 111.249 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.19 -25.3 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 3.1499999999999999 110.945 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -58.28 -67.08 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 2.2000000000000002 110.724 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.84 -63.25 0.28 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.746 -0.74 . . . . 3.3900000000000001 112.511 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.36 44.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.726 0.298 . . . . 4.3899999999999997 111.069 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.81 154.16 20.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.73 -0.748 . . . . 3.1600000000000001 112.573 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -125.41 16.83 8.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.646 0.26 . . . . 7.3300000000000001 111.445 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.17 92.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.768 0.318 . . . . 2.9199999999999999 110.809 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.75 -79.45 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 3.7799999999999998 111.086 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.14 -76.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.57 -0.824 . . . . 0.91000000000000003 112.801 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.417 HG23 ' HE1' ' A' ' 24' ' ' MET . 0.2 OUTLIER -64.02 -53.91 42.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 1.1100000000000001 111.149 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 37.7 m -52.66 -67.13 0.28 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 1.24 111.456 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -45.63 -27.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 1.6699999999999999 111.657 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -91.56 -69.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.538 -0.301 . . . . 2.0099999999999998 111.232 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.576 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -53.47 -44.57 69.05 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.385 -0.371 . . . . 3.8900000000000001 111.281 -179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.839 ' CG ' HD11 ' A' ' 9' ' ' LEU . 8.0 t80 -56.83 -64.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.078 0.466 . . . . 3.0 110.623 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 m -46.43 -53.89 10.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.735 -0.666 . . . . 1.3300000000000001 111.175 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -59.56 -36.41 76.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 2.2799999999999998 110.82 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.9 t -51.52 -33.13 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.98999999999999999 110.751 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -108.66 -70.29 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 2.7999999999999998 110.788 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 63.59 160.93 0.33 Allowed Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.615 -0.72 . . . . 3.23 112.549 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.712 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -144.74 61.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 6.75 111.231 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.23 48.34 7.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 8.7100000000000009 111.411 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.11 30.79 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.913 0.387 . . . . 9.3300000000000001 110.884 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.9 152.95 20.99 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 8.0600000000000005 110.876 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.1 p -53.88 96.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 10.619999999999999 110.839 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.76 -62.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 12.390000000000001 110.828 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.71 158.32 9.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 13.380000000000001 112.424 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.66 -175.04 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 15.119999999999999 110.883 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.8 m -75.76 -61.46 1.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 17.129999999999999 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.6 p -157.82 69.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 18.09 110.948 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -104.38 143.91 32.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 18.859999999999999 110.863 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 52.36 84.26 0.05 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 20.460000000000001 110.782 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.062 -0.517 . . . . 21.100000000000001 110.962 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.0 tttt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.685 0.279 . . . . 8.8300000000000001 111.26 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.24 151.23 36.72 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.613 2.209 . . . . 6.96 112.237 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.87 78.9 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 4.04 111.103 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 6.8 p-90 -111.8 34.28 4.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 6.0599999999999996 110.975 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 36.3 m -52.66 -68.77 0.14 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.6899999999999999 110.741 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 41.9 p-90 -49.76 -30.57 9.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.977 0.418 . . . . 4.2000000000000002 110.498 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.82 -49.2 73.9 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.575 . . . . 3.3900000000000001 109.57 178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.774 HG21 ' HB2' ' A' ' 24' ' ' MET . 13.8 m -55.91 -35.65 66.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.5 -0.773 . . . . 1.4399999999999999 109.779 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 1.4 mm? -72.15 -42.91 65.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 2.0600000000000001 110.902 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.54 -50.53 66.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.28 111.124 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -22.91 67.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 3.1499999999999999 111.087 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.57 170.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 2.2000000000000002 111.036 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -88.6 51.86 3.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 3.3900000000000001 112.615 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 69.63 -69.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 4.3899999999999997 111.096 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.49 -179.3 10.23 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.604 -0.808 . . . . 3.1600000000000001 112.428 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -118.07 174.49 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 7.3300000000000001 110.857 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.0 t0 60.68 65.24 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 2.9199999999999999 111.055 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.71 -42.86 1.75 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.168 -0.469 . . . . 3.7799999999999998 111.015 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -179.63 -85.62 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.64 -0.79 . . . . 0.91000000000000003 112.747 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.428 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -67.69 -34.42 76.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 1.1100000000000001 111.032 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -51.08 -67.19 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.247 -0.433 . . . . 1.24 111.248 -179.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.76 -26.39 63.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 1.6699999999999999 111.648 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -82.09 -73.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 2.0099999999999998 111.152 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.774 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -50.26 -53.19 30.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 3.8900000000000001 111.256 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 2.8 t80 -52.03 -65.58 0.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 3.0 111.066 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.3 t -51.58 -62.03 1.88 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.3300000000000001 111.198 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -46.43 -46.19 18.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 2.2799999999999998 111.506 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -52.05 -31.59 30.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.386 -0.37 . . . . 0.98999999999999999 111.13 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -120.99 34.77 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 2.7999999999999998 110.943 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -88.22 15.58 55.6 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.77 -0.728 . . . . 3.23 112.817 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pt -154.75 72.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.377 . . . . 6.75 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -155.31 34.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 8.7100000000000009 110.866 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t60 66.43 91.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 9.3300000000000001 110.862 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.76 104.68 11.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 8.0600000000000005 110.859 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.45 149.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 10.619999999999999 110.871 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -160.21 -180.0 8.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 12.390000000000001 110.87 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.43 -170.57 43.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.811 -0.709 . . . . 13.380000000000001 112.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.7 t -80.26 -50.93 9.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 15.119999999999999 110.846 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.39 -59.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 17.129999999999999 110.784 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 m 66.07 62.58 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 18.09 111.038 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -115.84 -76.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 18.859999999999999 110.829 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -141.26 166.17 25.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 20.460000000000001 110.844 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 21.100000000000001 110.933 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.737 0.303 . . . . 8.8300000000000001 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -64.61 101.71 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.655 2.237 . . . . 6.96 112.428 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.79 45.6 1.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 4.04 110.879 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -2.55 57.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 6.0599999999999996 112.008 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' O ' HD23 ' A' ' 9' ' ' LEU . 34.0 m -60.26 -72.52 0.11 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.782 0.325 . . . . 1.6899999999999999 111.083 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.489 ' CZ2' ' CE2' ' A' ' 7' ' ' TYR . 64.1 p-90 -48.45 -35.46 12.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.779 0.323 . . . . 4.2000000000000002 111.188 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.489 ' CE2' ' CZ2' ' A' ' 6' ' ' TRP . 0.8 OUTLIER -49.77 -53.5 24.7 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.984 0.421 . . . . 3.3900000000000001 110.535 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.805 HG23 ' HB ' ' A' ' 20' ' ' THR . 6.5 m -59.07 -33.09 70.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.8 -0.636 . . . . 1.4399999999999999 110.391 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 4.0 mm? -74.49 -41.82 60.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 2.0600000000000001 111.324 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.77 88.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.84 0.352 . . . . 1.28 111.19 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 75.6 mtp -64.31 -27.25 68.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 3.1499999999999999 111.021 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -51.76 -74.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 2.2000000000000002 110.823 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.75 -27.39 18.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.765 . . . . 3.3900000000000001 112.582 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.1 -44.95 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 4.3899999999999997 111.137 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.66 24.68 7.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 3.1600000000000001 112.455 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -177.86 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 7.3300000000000001 110.891 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' A' ' 22' ' ' ASP . 70.3 m-20 -91.51 49.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 2.9199999999999999 110.793 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.2 t -49.58 -54.11 20.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 3.7799999999999998 111.056 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.48 -58.88 0.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.601 -0.809 . . . . 0.91000000000000003 112.819 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.805 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -80.74 -45.26 17.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.839 0.352 . . . . 1.1100000000000001 111.175 -179.649 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.514 ' HA ' HG22 ' A' ' 8' ' ' THR . 22.0 m -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.115 -0.493 . . . . 1.24 111.468 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 19.7 t0 -60.16 -38.68 83.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 1.6699999999999999 111.774 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -75.69 -71.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.557 -0.292 . . . . 2.0099999999999998 111.587 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.75 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.36 -49.27 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 3.8900000000000001 111.539 -179.411 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 21.7 t80 -55.78 -69.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 3.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -49.64 -30.25 8.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.949 -0.569 . . . . 1.3300000000000001 111.177 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -75.6 -54.51 6.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.346 -0.388 . . . . 2.2799999999999998 110.946 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.8 t -65.62 -36.01 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.98999999999999999 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -110.07 -173.53 2.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 2.7999999999999998 110.92 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.99 -131.44 11.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 3.23 112.413 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.6 mt 54.03 68.31 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.84 0.352 . . . . 6.75 111.316 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.88 90.46 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.22 -0.445 . . . . 8.7100000000000009 111.036 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.35 94.01 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.118 -0.492 . . . . 9.3300000000000001 110.907 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -146.54 123.51 11.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 8.0600000000000005 110.826 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.5 m 50.86 39.85 23.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 10.619999999999999 110.816 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m 54.01 76.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 12.390000000000001 110.845 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.89 107.5 0.54 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.693 -0.765 . . . . 13.380000000000001 112.543 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.3 t -96.54 -25.65 15.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 15.119999999999999 110.822 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 m -129.39 80.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 17.129999999999999 111.005 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 t -108.47 26.82 10.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 18.09 110.755 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -175.94 156.98 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 18.859999999999999 110.82 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -145.12 -54.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 20.460000000000001 110.959 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 21.100000000000001 110.958 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 mttt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.711 0.291 . . . . 8.8300000000000001 111.197 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.29 165.12 7.74 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.61 2.206 . . . . 6.96 112.032 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.68 78.86 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 4.04 111.137 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -27.61 65.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 6.0599999999999996 110.508 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.0 m -52.91 -60.33 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 1.6899999999999999 110.889 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -69.08 -30.15 68.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 4.2000000000000002 110.813 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.0 -54.33 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.37 -0.377 . . . . 3.3900000000000001 110.914 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.494 HG23 HD22 ' A' ' 9' ' ' LEU . 2.4 t -64.55 -43.08 95.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.021 0.438 . . . . 1.4399999999999999 110.498 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.494 HD22 HG23 ' A' ' 8' ' ' THR . 2.8 mm? -60.7 -39.66 89.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.844 -0.616 . . . . 2.0600000000000001 110.841 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.04 -54.45 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 1.28 111.054 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.39 67.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.047 -0.524 . . . . 3.1499999999999999 110.868 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 t -54.5 153.42 5.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 2.2000000000000002 110.954 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -116.45 -66.77 0.39 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.731 -0.747 . . . . 3.3900000000000001 112.48 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.1 175.3 6.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 4.3899999999999997 111.169 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.88 24.75 30.31 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 3.1600000000000001 112.476 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' SER . 24.6 m-85 -96.91 170.05 9.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.779 0.323 . . . . 7.3300000000000001 110.984 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.9 78.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 2.9199999999999999 110.831 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 16' ' ' TYR . 28.2 t -72.52 -63.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 3.7799999999999998 110.74 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.42 -60.03 0.1 OUTLIER Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.61 -0.805 . . . . 0.91000000000000003 112.632 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' MET . 1.7 m -100.9 -37.25 8.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.806 0.336 . . . . 1.1100000000000001 111.226 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 18.7 m -48.91 -50.63 34.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.368 -0.378 . . . . 1.24 111.253 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -15.44 62.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.376 -0.374 . . . . 1.6699999999999999 111.767 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -97.75 -64.71 1.02 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.407 . . . . 2.0099999999999998 111.038 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' THR . 0.1 OUTLIER -54.12 -49.46 69.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 3.8900000000000001 111.188 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HB2' HD21 ' A' ' 9' ' ' LEU . 8.5 t80 -55.01 -67.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 3.0 111.233 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -45.16 -53.99 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 1.3300000000000001 111.702 -179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -60.4 -25.84 66.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 2.2799999999999998 111.362 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 24' ' ' MET . 4.5 t -86.02 -58.4 2.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.38 -0.373 . . . . 0.98999999999999999 110.998 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -87.55 -83.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 2.7999999999999998 110.904 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.2 28.45 3.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.887 -0.673 . . . . 3.23 112.421 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.3 mm -131.22 92.19 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 6.75 111.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.12 26.66 5.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 8.7100000000000009 110.92 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 m170 62.59 30.75 17.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 9.3300000000000001 110.869 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.17 153.66 40.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 8.0600000000000005 110.959 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -162.82 157.53 21.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.27 -0.423 . . . . 10.619999999999999 110.904 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.2 m -97.94 86.01 3.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 12.390000000000001 110.944 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 103.91 87.25 1.99 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 13.380000000000001 112.641 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.4 m -92.93 166.31 12.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 15.119999999999999 110.965 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.0 m -134.69 -67.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 17.129999999999999 110.927 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.0 p -52.24 -28.4 18.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 18.09 110.865 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -80.05 154.02 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 18.859999999999999 111.061 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -154.9 136.55 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 20.460000000000001 110.815 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 21.100000000000001 110.844 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.706 0.289 . . . . 8.8300000000000001 111.257 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.87 137.53 24.61 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.576 2.184 . . . . 6.96 112.366 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.2 39.14 4.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 4.04 110.972 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -37.38 86.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 6.0599999999999996 111.03 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.94 -31.98 69.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 1.6899999999999999 111.037 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -66.57 -33.25 75.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 4.2000000000000002 110.704 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -69.83 -41.27 75.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 3.3900000000000001 110.502 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.867 HG21 ' CB ' ' A' ' 24' ' ' MET . 24.1 m -59.47 -42.03 91.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.021 -0.536 . . . . 1.4399999999999999 110.751 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' A' ' 25' ' ' TYR . 2.1 mm? -83.58 -46.4 12.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 2.0600000000000001 111.373 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.78 -26.08 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.378 -0.373 . . . . 1.28 111.224 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.8 mmm -83.7 -48.49 10.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 3.1499999999999999 110.975 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -50.48 -50.0 53.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 2.2000000000000002 110.984 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . 106.87 18.9 10.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 3.3900000000000001 112.572 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 68.44 151.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 4.3899999999999997 111.146 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.37 67.94 1.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 3.1600000000000001 112.573 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -162.18 163.26 28.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 7.3300000000000001 110.892 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.1 p-10 -161.27 53.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 2.9199999999999999 110.989 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.18 -34.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 3.7799999999999998 110.892 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.67 -83.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.599 -0.81 . . . . 0.91000000000000003 112.804 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' MET . 0.2 OUTLIER -66.66 -42.75 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 1.1100000000000001 111.29 -179.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 76.7 m -45.5 -52.02 10.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.336 -0.393 . . . . 1.24 111.509 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.61 -42.45 70.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.446 -0.343 . . . . 1.6699999999999999 111.435 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -66.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.511 -0.313 . . . . 2.0099999999999998 111.324 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.867 ' CB ' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -48.58 -31.71 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 3.8900000000000001 110.87 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.72 ' HB2' HD11 ' A' ' 9' ' ' LEU . 50.1 t80 -63.46 -83.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.905 -0.589 . . . . 3.0 110.398 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -36.9 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.969 -0.559 . . . . 1.3300000000000001 110.96 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -51.59 -31.81 26.24 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 121.549 0.69 . . . . 2.2799999999999998 109.251 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 6.4 t -100.21 -25.94 14.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.842 -1.072 . . . . 0.98999999999999999 109.37 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 32.0 t80 78.55 121.05 0.05 Allowed 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 115.416 -0.811 . . . . 2.7999999999999998 111.306 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -54.04 173.91 0.57 Allowed Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.558 -0.746 . . . . 3.23 112.527 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -145.85 62.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.743 0.306 . . . . 6.75 110.951 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.11 41.39 2.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 8.7100000000000009 111.022 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 66.92 97.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 9.3300000000000001 110.887 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -126.75 106.59 9.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 8.0600000000000005 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -146.76 85.67 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 10.619999999999999 110.86 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 54.66 63.76 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 12.390000000000001 110.864 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.17 -60.57 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.724 -0.75 . . . . 13.380000000000001 112.632 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 t -64.67 153.49 39.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 15.119999999999999 110.904 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -154.72 -61.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 17.129999999999999 110.876 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.4 -46.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 18.09 110.887 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -70.45 131.09 43.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 18.859999999999999 110.929 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.6 m170 51.02 75.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 20.460000000000001 110.898 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.0 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 21.100000000000001 110.941 179.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.511 0.196 . . . . 8.8300000000000001 111.088 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.53 -168.83 0.61 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.531 2.154 . . . . 6.96 112.554 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.426 ' O ' ' NE1' ' A' ' 6' ' ' TRP . . . -158.0 96.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 4.04 111.163 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -15.21 58.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.149 -0.478 . . . . 6.0599999999999996 111.511 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 79.2 m -53.35 -77.03 0.02 OUTLIER 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.919 0.39 . . . . 1.6899999999999999 111.162 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.498 ' CD2' ' N ' ' A' ' 7' ' ' TYR . 65.0 p-90 -45.99 -44.3 14.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.282 -0.417 . . . . 4.2000000000000002 111.36 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.498 ' N ' ' CD2' ' A' ' 6' ' ' TRP . 8.6 t80 -45.84 -50.23 14.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.34 -0.391 . . . . 3.3900000000000001 111.014 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.724 HG21 ' HB2' ' A' ' 24' ' ' MET . 17.6 m -58.33 -36.66 73.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.978 -0.556 . . . . 1.4399999999999999 110.434 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.519 HD21 ' HD1' ' A' ' 25' ' ' TYR . 3.9 mp -76.67 -45.92 27.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 2.0600000000000001 111.523 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.83 -57.26 5.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 1.28 111.468 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.8 mtt -77.24 -14.06 59.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 3.1499999999999999 111.485 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 37.5 t -48.63 151.97 1.05 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.053 0.454 . . . . 2.2000000000000002 111.179 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . -124.35 73.14 0.42 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.004 -0.617 . . . . 3.3900000000000001 111.789 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 75.56 69.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.911 0.386 . . . . 4.3899999999999997 110.517 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -44.82 122.97 5.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.043 -0.599 . . . . 3.1600000000000001 113.187 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 172.12 86.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 7.3300000000000001 110.831 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 48.68 48.78 19.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.48 . . . . 2.9199999999999999 111.042 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.5 t -99.17 -69.22 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 3.7799999999999998 110.997 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.9 -88.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.535 -0.84 . . . . 0.91000000000000003 112.89 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.494 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -75.34 -40.07 58.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 1.1100000000000001 111.235 -179.616 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 21.8 m -50.8 -69.89 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 1.24 111.382 -179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -50.75 -30.92 15.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.352 -0.386 . . . . 1.6699999999999999 111.609 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.1 -73.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 2.0099999999999998 111.413 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.724 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -48.03 -49.45 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 3.8900000000000001 111.14 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.519 ' HD1' HD21 ' A' ' 9' ' ' LEU . 65.6 t80 -51.36 -69.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 3.0 110.772 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -47.29 -53.59 13.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.707 -0.678 . . . . 1.3300000000000001 111.173 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -51.48 -60.18 3.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 2.2799999999999998 110.829 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.8 t -56.23 -44.42 79.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.98999999999999999 110.803 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -114.82 84.19 2.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 2.7999999999999998 110.727 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.47 2.99 87.45 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 120.864 -0.684 . . . . 3.23 113.077 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.5 mt 51.18 81.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.815 0.34 . . . . 6.75 111.277 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -128.05 57.31 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 8.7100000000000009 110.835 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -172.16 52.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 9.3300000000000001 110.95 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.27 159.29 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 8.0600000000000005 110.927 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.98 117.75 23.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 10.619999999999999 110.883 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.77 -73.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 12.390000000000001 110.937 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -83.01 -97.86 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.688 -0.767 . . . . 13.380000000000001 112.535 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t 69.54 -67.73 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 15.119999999999999 110.852 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.8 t -175.49 75.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 17.129999999999999 110.896 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 m -122.81 -47.1 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 18.09 110.826 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -127.38 139.03 53.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 18.859999999999999 110.903 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -102.36 44.7 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.483 . . . . 20.460000000000001 110.966 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 45.5 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 21.100000000000001 110.91 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . 0.425 ' H61' ' O3 ' ' A' ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.711 0.291 . . . . 8.8300000000000001 111.195 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.26 153.09 61.9 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.55 2.166 . . . . 6.96 112.308 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.82 39.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 4.04 111.314 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.441 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 18.1 p-90 -101.95 27.66 6.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.345 -0.389 . . . . 6.0599999999999996 110.898 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -61.71 -61.66 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 1.6899999999999999 110.68 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.528 ' CE3' ' N ' ' A' ' 7' ' ' TYR . 49.4 p-90 -48.5 -34.73 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 4.2000000000000002 110.741 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.528 ' N ' ' CE3' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -53.34 -57.56 10.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.003 -0.544 . . . . 3.3900000000000001 109.848 179.192 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.891 HG21 ' CB ' ' A' ' 24' ' ' MET . 21.3 m -49.49 -32.79 12.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.56 -0.745 . . . . 1.4399999999999999 110.255 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm? -81.11 -38.59 27.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 2.0600000000000001 110.898 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.94 93.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 1.28 111.119 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.4 ptm -78.3 0.83 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 3.1499999999999999 111.73 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -73.87 -58.07 3.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.844 0.354 . . . . 2.2000000000000002 110.951 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 14' ' ' ALA . . . 94.34 31.78 7.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 3.3900000000000001 112.495 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 13' ' ' GLY . . . 67.14 69.05 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.927 0.394 . . . . 4.3899999999999997 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -133.14 129.61 5.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.85 -0.691 . . . . 3.1600000000000001 112.386 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -82.45 106.2 14.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 7.3300000000000001 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t0 53.33 84.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 2.9199999999999999 110.856 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 t -112.07 -34.44 5.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 3.7799999999999998 110.872 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 177.8 -86.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.549 -0.834 . . . . 0.91000000000000003 112.817 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.455 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -78.46 -29.22 46.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.895 0.379 . . . . 1.1100000000000001 110.974 -179.736 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -49.03 -69.08 0.13 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 1.24 111.296 -179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.22 -35.2 62.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 1.6699999999999999 111.87 -179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -77.97 -73.0 0.34 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.646 0.26 . . . . 2.0099999999999998 111.526 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.891 ' CB ' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.56 -43.24 16.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.732 0.301 . . . . 3.8900000000000001 111.304 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' CYS . 70.7 t80 -49.05 -76.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.056 0.455 . . . . 3.0 110.56 179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 m -54.27 -33.63 59.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.72 -0.673 . . . . 1.3300000000000001 110.442 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -52.78 -40.74 63.47 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.371 -0.603 . . . . 2.2799999999999998 109.371 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 29' ' ' PHE . 7.2 t -86.76 -25.34 24.72 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.084 -0.962 . . . . 0.98999999999999999 109.429 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.416 ' HB3' ' O ' ' A' ' 28' ' ' CYS . 76.8 t80 68.5 95.31 0.07 Allowed 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 115.537 -0.756 . . . . 2.7999999999999998 111.598 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.24 101.77 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.071 -0.968 . . . . 3.23 113.231 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 31' ' ' ILE . 1.6 pp -88.8 57.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 6.75 110.984 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -118.98 39.34 3.56 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.11 -0.495 . . . . 8.7100000000000009 110.989 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.0 t60 51.31 65.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 9.3300000000000001 110.995 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -165.22 100.5 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.28 -0.418 . . . . 8.0600000000000005 110.841 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.2 p -129.48 45.03 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 10.619999999999999 111.017 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.35 102.72 8.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 12.390000000000001 110.857 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.12 156.55 7.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.701 -0.762 . . . . 13.380000000000001 112.461 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.77 81.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 15.119999999999999 110.831 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.6 m -124.88 68.98 1.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.086 -0.506 . . . . 17.129999999999999 110.874 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -50.75 62.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 18.09 110.925 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -93.89 128.52 40.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 18.859999999999999 110.882 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.69 -173.69 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 20.460000000000001 110.979 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 28.7 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 21.100000000000001 110.999 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . 0.41 ' O7 ' ' O3 ' ' A' ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.775 0.322 . . . . 8.8300000000000001 111.253 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.79 113.09 3.71 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.587 2.192 . . . . 6.96 112.283 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.25 77.33 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 4.04 111.107 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -46.63 -27.21 1.08 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 6.0599999999999996 111.31 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.447 ' O ' ' HB ' ' A' ' 8' ' ' THR . 20.3 p -50.39 -41.31 51.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 1.6899999999999999 111.355 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.402 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -58.12 -43.68 87.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.758 0.313 . . . . 4.2000000000000002 110.795 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.421 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -58.03 -35.01 70.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 3.3900000000000001 110.5 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.631 HG23 ' HB ' ' A' ' 20' ' ' THR . 1.3 m -62.26 -38.54 89.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.4399999999999999 109.821 179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.6 mm? -74.95 -40.54 60.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 2.0600000000000001 111.008 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.67 -28.0 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 1.28 111.184 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.0 mmm -110.13 26.43 10.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 3.1499999999999999 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -61.05 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 2.2000000000000002 110.95 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.02 35.4 32.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.724 -0.751 . . . . 3.3900000000000001 112.581 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -144.36 172.44 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 4.3899999999999997 111.079 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 16' ' ' TYR . . . -54.79 -50.0 59.73 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.831 -0.699 . . . . 3.1600000000000001 112.576 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 15' ' ' GLY . 5.6 t80 171.53 -32.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.263 0.554 . . . . 7.3300000000000001 111.004 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -102.95 69.17 1.03 Allowed 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.339 -0.846 . . . . 2.9199999999999999 111.059 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.24 -50.28 5.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 3.7799999999999998 110.758 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.42 -65.73 0.13 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.686 -0.768 . . . . 0.91000000000000003 112.72 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.631 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -84.07 -45.61 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.876 0.369 . . . . 1.1100000000000001 111.053 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 51.6 m -46.33 -64.51 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 1.24 111.415 -179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -46.07 -27.21 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.403 . . . . 1.6699999999999999 111.578 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.49 -69.64 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 2.0099999999999998 111.085 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.594 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -52.74 -42.27 64.76 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.194 -0.457 . . . . 3.8900000000000001 111.406 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' CG ' HD11 ' A' ' 9' ' ' LEU . 5.0 t80 -62.07 -68.9 0.28 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.906 0.384 . . . . 3.0 111.056 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.77 -38.55 34.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 1.3300000000000001 111.223 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -72.76 -54.08 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 2.2799999999999998 111.197 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.6 t -59.5 -57.55 12.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.328 -0.396 . . . . 0.98999999999999999 111.254 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -21.96 60.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 2.7999999999999998 111.266 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.37 -175.73 14.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.651 -0.785 . . . . 3.23 112.434 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 pt -138.07 71.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 6.75 111.198 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -107.78 55.4 0.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 8.7100000000000009 110.8 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -118.31 43.1 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.331 -0.395 . . . . 9.3300000000000001 111.092 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -157.74 77.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 8.0600000000000005 110.908 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.9 m -126.27 49.53 1.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 10.619999999999999 110.968 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.25 74.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 12.390000000000001 110.909 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.37 145.34 38.92 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 13.380000000000001 112.486 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p -68.31 -27.97 66.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 15.119999999999999 110.857 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.4 p -179.87 73.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 17.129999999999999 110.807 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m 51.02 71.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 18.09 110.785 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.54 -69.56 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 18.859999999999999 111.052 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -84.99 -46.8 10.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 20.460000000000001 110.996 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.099 -0.501 . . . . 21.100000000000001 110.994 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.433 ' HG3' ' HD2' ' A' ' 2' ' ' PRO . 11.9 ttmt . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.689 0.281 . . . . 8.8300000000000001 111.139 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.433 ' HD2' ' HG3' ' A' ' 1' ' ' LYS . 48.0 Cg_exo -55.86 88.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.519 2.146 . . . . 6.96 112.481 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.15 65.41 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 4.04 110.748 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.415 ' O ' ' HB2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -51.29 -22.88 3.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 6.0599999999999996 111.676 -179.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.774 ' O ' HG22 ' A' ' 8' ' ' THR . 1.4 p -45.98 -51.48 13.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.611 0.244 . . . . 1.6899999999999999 111.431 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -37.85 63.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.88 0.371 . . . . 4.2000000000000002 110.58 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -55.91 -41.96 75.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.043 -0.526 . . . . 3.3900000000000001 110.564 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 5' ' ' CYS . 0.9 OUTLIER -61.23 -36.67 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.4399999999999999 110.119 179.653 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 25' ' ' TYR . 8.5 mp -67.25 -35.9 80.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.802 -0.635 . . . . 2.0600000000000001 110.633 179.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.97 92.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 1.28 110.636 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.3 mtm -82.43 -17.4 45.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.956 -0.566 . . . . 3.1499999999999999 111.075 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -47.09 172.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.586 -0.279 . . . . 2.2000000000000002 111.18 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.84 -68.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 3.3900000000000001 112.508 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 4.3899999999999997 111.097 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.37 -124.91 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.777 -0.725 . . . . 3.1600000000000001 112.586 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -109.94 150.79 27.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 7.3300000000000001 110.998 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 63.42 83.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 2.9199999999999999 110.897 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -125.91 -59.67 1.33 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.482 . . . . 3.7799999999999998 110.931 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -177.34 -73.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.91000000000000003 112.636 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 24' ' ' MET . 0.4 OUTLIER -68.91 -58.26 4.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.723 0.297 . . . . 1.1100000000000001 111.081 -179.766 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 25' ' ' TYR . 0.8 OUTLIER -44.08 -51.4 7.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.24 111.568 -179.668 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.6 OUTLIER -69.42 -54.57 13.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.389 . . . . 1.6699999999999999 111.169 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -57.18 -68.87 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 2.0099999999999998 111.631 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' THR . 0.0 OUTLIER -47.17 -62.41 1.43 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 3.8900000000000001 111.417 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.48 ' HB2' HD11 ' A' ' 9' ' ' LEU . 4.5 t80 -51.18 -63.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.934 0.397 . . . . 3.0 111.113 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 72.2 m -43.51 -52.35 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.939 -0.573 . . . . 1.3300000000000001 111.741 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.43 -31.53 70.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.355 -0.384 . . . . 2.2799999999999998 111.26 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 5' ' ' CYS . 47.5 t -78.5 -27.04 46.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.778 0.323 . . . . 0.98999999999999999 110.93 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -94.48 -22.5 18.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 2.7999999999999998 111.097 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.5 103.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 3.23 112.455 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.7 mt -124.71 82.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.863 0.363 . . . . 6.75 111.117 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -133.28 40.63 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 8.7100000000000009 110.795 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -129.26 36.88 4.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 9.3300000000000001 110.988 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.26 146.21 26.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 8.0600000000000005 110.802 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.2 t 63.8 41.55 6.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 10.619999999999999 110.779 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 m -156.69 65.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 12.390000000000001 110.849 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.1 -75.1 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 13.380000000000001 112.44 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.19 49.68 7.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.914 0.387 . . . . 15.119999999999999 110.818 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 p -108.18 -30.94 8.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 17.129999999999999 111.072 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 p 54.77 95.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 18.09 110.9 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -107.33 -54.8 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 18.859999999999999 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -163.21 36.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 20.460000000000001 110.889 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 21.100000000000001 110.861 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.1 tptm . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.756 0.312 . . . . 8.8300000000000001 111.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -57.4 144.24 92.06 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.589 2.192 . . . . 6.96 112.497 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.574 ' HB1' ' CD1' ' A' ' 6' ' ' TRP . . . -151.67 78.65 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 4.04 110.804 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -110.72 -44.41 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 6.0599999999999996 111.103 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.82 -61.73 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 1.6899999999999999 111.004 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 1.4 p-90 -47.47 -38.69 14.2 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.391 -0.368 . . . . 4.2000000000000002 110.979 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.92 -52.4 57.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.065 -0.516 . . . . 3.3900000000000001 110.471 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' HG22 ' A' ' 20' ' ' THR . 12.4 m -57.67 -27.36 62.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 1.4399999999999999 110.367 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -79.1 -55.98 4.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 2.0600000000000001 110.553 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.98 -31.07 2.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 1.28 111.537 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -27.04 29.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 3.1499999999999999 110.968 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LEU . 52.9 t -55.03 155.19 4.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 2.2000000000000002 111.04 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.77 74.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.941 -0.647 . . . . 3.3900000000000001 112.298 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 18' ' ' SER . . . -153.1 40.69 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 4.3899999999999997 111.267 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' N ' ' H2 ' ' A' ' 44' ' ' NAG . . . 54.08 -156.61 6.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 3.1600000000000001 112.683 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.46 ' O ' ' CD1' ' A' ' 16' ' ' TYR . 7.3 p90 -49.85 141.98 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 7.3300000000000001 110.924 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 50.91 44.97 28.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 2.9199999999999999 110.744 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 38.3 m -49.0 -28.14 3.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.048 -0.523 . . . . 3.7799999999999998 111.172 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.56 -37.36 3.43 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.73 -0.747 . . . . 0.91000000000000003 111.988 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 8' ' ' THR . 0.5 OUTLIER -91.0 -42.75 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.908 0.385 . . . . 1.1100000000000001 110.534 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.1 m -66.42 -51.03 61.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.058 -0.519 . . . . 1.24 110.534 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -55.56 -42.17 74.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 1.6699999999999999 110.646 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -56.2 12.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 2.0099999999999998 110.483 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.456 ' HG3' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -46.77 -64.1 0.85 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.124 0.487 . . . . 3.8900000000000001 111.171 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.447 ' CD1' ' CD1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -47.91 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.691 -0.686 . . . . 3.0 111.612 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -34.67 19.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 1.3300000000000001 111.635 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 -83.04 -68.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 2.2799999999999998 111.563 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 24' ' ' MET . 1.8 t -45.85 -43.68 13.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 0.98999999999999999 111.316 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CD1' ' CD1' ' A' ' 25' ' ' TYR . 14.3 m-85 -86.87 -26.28 24.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 2.7999999999999998 111.037 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.94 162.26 36.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 3.23 112.592 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.43 ' O ' HG22 ' A' ' 31' ' ' ILE . 58.0 mt -92.43 66.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.806 0.336 . . . . 6.75 111.11 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 50.35 89.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 8.7100000000000009 110.9 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.446 ' CD2' ' CD2' ' A' ' 34' ' ' HIS . 20.9 p-80 -103.25 32.16 3.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 9.3300000000000001 110.958 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' CD2' ' CD2' ' A' ' 33' ' ' HIS . 0.9 OUTLIER -177.88 57.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 8.0600000000000005 111.049 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.0 t -65.7 89.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 10.619999999999999 110.715 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.8 t 58.63 -179.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 12.390000000000001 110.837 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.73 -101.09 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.807 -0.711 . . . . 13.380000000000001 112.451 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.9 t -165.8 92.3 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 15.119999999999999 110.909 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.8 t -167.42 102.23 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 17.129999999999999 110.936 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.69 -28.19 20.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 18.09 110.863 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -86.82 141.08 29.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 18.859999999999999 110.924 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -85.86 -43.06 13.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 20.460000000000001 110.86 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.2 m . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.089 -0.505 . . . . 21.100000000000001 110.824 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . 0.409 ' H2 ' ' N ' ' A' ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.674 0.273 . . . . 8.8300000000000001 111.163 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -44.65 159.9 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.575 2.184 . . . . 6.96 112.517 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.47 86.22 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 4.04 110.886 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.97 -36.43 19.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 6.0599999999999996 110.458 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 96.5 m -67.77 -51.26 51.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.6899999999999999 110.613 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -63.3 -29.37 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 4.2000000000000002 110.914 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 7.8 t80 -67.97 -44.95 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 3.3900000000000001 110.514 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.805 HG21 ' HB2' ' A' ' 24' ' ' MET . 20.3 m -61.26 -43.86 98.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 1.4399999999999999 110.491 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mp -73.02 -36.93 67.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 2.0600000000000001 111.045 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.97 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.28 111.252 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mmt -115.37 39.35 2.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 3.1499999999999999 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -106.64 -85.78 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.292 -0.413 . . . . 2.2000000000000002 110.93 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 47.95 31.42 7.99 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 3.3900000000000001 112.681 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.528 ' HB3' ' OG ' ' A' ' 18' ' ' SER . . . -102.5 173.54 6.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 4.3899999999999997 111.206 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -94.14 -146.38 20.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.805 -0.712 . . . . 3.1600000000000001 112.507 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -48.71 129.18 16.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.801 0.334 . . . . 7.3300000000000001 110.985 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 55.49 64.34 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 2.9199999999999999 110.766 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.528 ' OG ' ' HB3' ' A' ' 14' ' ' ALA . 18.1 m -50.14 -31.02 12.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 3.7799999999999998 111.05 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.26 -50.18 1.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.91000000000000003 112.459 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.97 -50.44 6.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.774 0.321 . . . . 1.1100000000000001 110.818 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' TYR . 9.7 m -62.28 -54.54 39.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 1.24 111.061 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 -25.15 1.78 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.32 -0.4 . . . . 1.6699999999999999 111.383 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -95.94 -59.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.795 0.331 . . . . 2.0099999999999998 111.382 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.805 ' HB2' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER -64.98 -45.19 86.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 3.8900000000000001 111.129 -179.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.52 ' CD2' ' H81' ' A' ' 44' ' ' NAG . 0.7 OUTLIER -58.15 -62.55 1.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 3.0 110.837 179.848 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -31.47 49.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.605 . . . . 1.3300000000000001 111.267 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.0 t60 -81.05 -29.53 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 2.2799999999999998 111.208 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.3 t -74.08 -31.86 63.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.397 -0.365 . . . . 0.98999999999999999 110.958 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -115.32 41.44 2.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.29 -0.414 . . . . 2.7999999999999998 110.889 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.45 0.09 89.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.611 -0.804 . . . . 3.23 113.033 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.7 mt 56.03 85.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.86 0.362 . . . . 6.75 111.349 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -106.17 16.19 25.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 8.7100000000000009 111.259 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -136.58 53.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.718 0.294 . . . . 9.3300000000000001 110.771 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -146.45 34.82 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.305 -0.407 . . . . 8.0600000000000005 111.102 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.18 167.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 10.619999999999999 111.088 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -110.16 -77.29 0.6 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.089 -0.505 . . . . 12.390000000000001 110.843 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.11 170.68 33.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.763 -0.732 . . . . 13.380000000000001 112.574 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -118.98 175.0 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 15.119999999999999 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.3 p -156.09 -45.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.259 -0.428 . . . . 17.129999999999999 111.004 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 p -121.43 50.82 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 18.09 110.938 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -39.42 8.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 18.859999999999999 110.859 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -85.69 77.23 9.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 20.460000000000001 110.804 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 8.5 p . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 21.100000000000001 110.824 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . 0.52 ' H81' ' CD2' ' A' ' 25' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.742 0.306 . . . . 8.8300000000000001 111.2 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -48.26 149.59 6.18 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.597 2.198 . . . . 6.96 112.456 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -176.4 47.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 4.04 111.199 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.446 ' CZ3' ' SD ' ' A' ' 24' ' ' MET . 16.4 p-90 -108.26 31.77 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.334 -0.394 . . . . 6.0599999999999996 110.992 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.91 -59.36 4.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 1.6899999999999999 110.697 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -51.64 -34.98 40.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.024 0.44 . . . . 4.2000000000000002 110.386 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -56.74 -44.07 81.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.874 -0.603 . . . . 3.3900000000000001 109.869 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.819 HG22 ' SG ' ' A' ' 21' ' ' CYS . 18.0 m -57.32 -39.0 74.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.658 -0.701 . . . . 1.4399999999999999 110.174 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.52 HD21 ' CE1' ' A' ' 25' ' ' TYR . 6.9 mp -69.86 -48.03 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 2.0600000000000001 110.932 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.2 -25.86 48.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.951 0.405 . . . . 1.28 111.098 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.92 -24.0 17.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.045 -0.525 . . . . 3.1499999999999999 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.95 179.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 2.2000000000000002 110.993 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 56.92 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.791 -0.718 . . . . 3.3900000000000001 112.377 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.19 36.96 1.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.767 0.317 . . . . 4.3899999999999997 111.178 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 48.54 -135.84 18.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.811 -0.709 . . . . 3.1600000000000001 112.633 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -55.6 149.72 13.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.772 0.32 . . . . 7.3300000000000001 110.931 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 t70 51.22 68.63 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 2.9199999999999999 110.913 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 m -50.86 -46.85 60.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 3.7799999999999998 110.827 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.41 -45.61 1.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.91000000000000003 112.634 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.56 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.2 OUTLIER -105.23 -62.36 1.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.734 0.302 . . . . 1.1100000000000001 111.017 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.819 ' SG ' HG22 ' A' ' 8' ' ' THR . 24.3 m -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.998 0.428 . . . . 1.24 110.963 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -60.76 -17.03 46.49 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.86 -0.336 . . . . 1.6699999999999999 110.979 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -110.65 -32.83 6.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.81 0.338 . . . . 2.0099999999999998 111.142 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.446 ' SD ' ' CZ3' ' A' ' 4' ' ' TRP . 0.0 OUTLIER -93.57 -50.4 5.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 116.213 -0.449 . . . . 3.8900000000000001 109.898 -179.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.52 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -56.05 -45.17 79.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 3.0 110.871 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.13 -47.84 53.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 1.3300000000000001 110.851 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -83.77 -29.21 27.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 2.2799999999999998 110.795 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.85 -37.08 85.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.98999999999999999 110.603 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -103.79 -22.44 13.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.524 . . . . 2.7999999999999998 111.018 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.74 127.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 3.23 112.503 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 mp -71.14 69.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 6.75 111.06 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.5 ptpt -175.89 98.6 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 8.7100000000000009 110.777 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -86.03 59.6 5.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 9.3300000000000001 111.087 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -77.19 73.13 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 8.0600000000000005 110.85 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 m -68.5 87.16 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 10.619999999999999 111.021 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.0 m -159.73 107.03 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 12.390000000000001 110.838 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.64 -51.88 0.48 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 13.380000000000001 112.494 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 39' ' ' SER . 96.8 p -161.51 -77.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.369 . . . . 15.119999999999999 110.899 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.416 ' N ' ' OG ' ' A' ' 38' ' ' SER . 1.1 p -171.33 59.38 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 17.129999999999999 110.898 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.0 t -166.39 88.55 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 18.09 110.84 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.77 172.44 13.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 18.859999999999999 110.91 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -134.42 140.13 46.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 20.460000000000001 110.822 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 21.100000000000001 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_