data_2enc_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 2enc _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 ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.543 0.687 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.552 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.78 -13.33 34.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 70.6 m-85 -158.26 114.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -133.31 159.2 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.1 t -66.57 148.84 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 -20.45 20.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -75.68 -61.26 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.3 -50.6 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.15 18.04 2.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 27.0 tttm -47.16 165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.07 142.4 16.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.426 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 45.7 m-85 -147.88 168.76 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -116.65 -30.21 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -121.85 135.08 54.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -44.38 -57.89 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -41.31 -48.96 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.88 -56.96 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.543 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.7 t -41.53 -51.09 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -59.69 -53.5 57.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' TYR . 9.8 t -35.86 -54.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' ND1' ' HD3' ' A' ' 20' ' ' LYS . 2.9 t60 -66.36 -47.34 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 23.1 mttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.6 0.714 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.84 -20.01 35.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.6 m-85 -149.41 112.98 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -131.52 162.31 30.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.05 153.43 40.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -93.09 -26.98 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -70.33 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.5 p -102.06 -53.16 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.51 25.48 1.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -50.57 161.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.439 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -106.47 137.73 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 51.2 m-85 -148.54 178.03 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -125.67 -32.96 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 p -114.91 140.01 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -50.18 -53.15 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -42.71 -46.02 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -64.43 -52.58 57.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 t -52.47 -44.35 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -54.6 23.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -40.51 -47.3 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -68.66 -53.12 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 26.6 mttt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.565 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.74 -13.66 35.05 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 62.2 m-85 -156.71 105.59 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -125.86 159.65 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -70.0 149.06 48.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -91.34 -22.36 20.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.74 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.8 p -101.56 -52.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.74 14.63 2.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -41.98 161.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.21 144.88 17.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 61.7 m-85 -154.34 178.12 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -126.11 -27.02 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -123.6 136.88 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -46.38 -55.59 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -37.08 -60.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -54.92 -57.23 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 46.6 t -44.33 -46.38 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.84 -48.09 69.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 t -45.08 -40.05 6.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -74.8 -48.07 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 75.1 m-85 -151.32 114.44 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -134.21 158.81 42.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.66 148.8 37.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -92.85 -23.31 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -71.81 -57.82 4.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -109.03 -50.23 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.99 5.31 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptt -33.41 141.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -90.85 144.69 17.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 48.2 m-85 -149.77 179.34 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -127.61 -28.89 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.4 p -125.13 127.79 47.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -43.48 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -48.72 -55.06 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -56.82 -58.02 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.55 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 34.0 t -41.23 -39.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -46.86 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 t -46.48 -42.14 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -82.29 -45.7 14.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 51.6 mttt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.82 -23.06 30.95 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 72.1 m-85 -150.72 116.11 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -134.03 162.15 32.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -67.87 151.44 47.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -92.37 -24.38 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -72.42 -62.36 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.04 -53.01 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.29 20.52 1.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -44.27 164.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.428 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -104.82 134.69 12.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 48.4 m-85 -146.04 172.69 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -121.8 -28.73 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -120.85 153.25 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -62.01 -51.84 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -42.17 -52.57 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -61.33 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.8 t -40.3 -38.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.33 -46.22 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -47.64 -48.66 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.3 -50.36 68.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 23.8 mttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.582 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 -18.78 36.84 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 56.6 m-85 -161.79 118.39 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 162.61 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.69 150.68 48.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -92.96 -24.4 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -71.57 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.69 -51.32 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.89 7.27 2.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -37.3 141.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -89.58 146.53 18.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 73.2 m-85 -151.38 -178.19 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -128.68 -32.44 2.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -115.92 131.03 57.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -44.41 -54.2 6.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -45.12 -47.48 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.44 -55.09 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.6 t -45.43 -47.65 13.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -67.05 -45.0 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -45.29 -44.89 11.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' GLN . 4.7 t60 -71.02 -49.03 49.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 13.4 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.473 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 10.9 mttm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.569 0.7 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.596 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -11.26 30.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 70.5 m-85 -157.68 109.93 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 145.96 50.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -51.05 144.14 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 pt-20 -89.76 -20.71 23.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' OE1' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -71.6 -55.28 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -110.76 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.94 2.75 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 35.2 tttp -36.53 140.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.473 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -91.39 147.52 18.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 62.0 m-85 -148.9 163.32 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.405 ' C ' HG23 ' A' ' 24' ' ' THR . 21.7 m-85 -112.74 12.71 19.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.405 HG23 ' C ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -170.07 160.76 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.175 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -43.52 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -55.43 -43.16 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -67.35 -38.08 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 4.5 t -63.9 -37.44 87.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.89 -46.04 32.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -42.77 -48.09 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CG ' ' HD3' ' A' ' 20' ' ' LYS . 4.8 t60 -74.9 -50.37 17.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.467 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 33.7 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.533 0.682 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -18.91 36.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.9 m-85 -152.36 111.28 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -128.11 153.62 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -64.37 149.33 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.457 ' H ' ' NE2' ' A' ' 32' ' ' GLN . 3.2 pt-20 -92.19 -21.7 20.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -74.47 -61.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.15 -51.87 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.48 22.81 1.61 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tptt -47.48 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -121.32 136.89 11.43 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.482 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 38.6 m-85 -150.89 168.76 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -116.02 -31.95 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.971 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -113.47 136.37 52.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -46.38 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.6 p -48.59 -40.93 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -70.5 -45.51 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.2 t -54.3 -45.26 72.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.21 -47.54 70.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -43.57 -51.7 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -70.74 -45.31 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.457 ' NE2' ' H ' ' A' ' 16' ' ' GLU . 7.3 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' CD ' ' CA ' ' A' ' 21' ' ' GLY . 30.9 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.73 -18.39 37.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 59.7 m-85 -158.48 124.54 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -133.69 163.6 29.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -75.92 153.29 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.15 -26.67 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -70.71 -63.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -100.97 -53.15 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.08 26.41 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 5.8 ttpt -51.86 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.474 ' CA ' ' CD ' ' A' ' 11' ' ' LYS . . . -117.74 137.78 13.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.466 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -145.58 146.26 31.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -95.85 -27.17 15.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -122.76 140.64 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.6 t30 -49.19 -61.53 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 m -35.07 -56.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -54.25 -57.49 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 32.9 t -41.82 -44.0 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.2 -51.59 20.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -41.32 -28.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -90.73 -45.84 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' ' CA ' ' A' ' 21' ' ' GLY . 14.5 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -13.76 35.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 81.6 m-85 -157.58 110.48 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -130.26 152.31 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -64.24 147.96 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -90.87 -19.97 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.27 -62.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -101.4 -51.85 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 21.15 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.595 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.2 tptp -44.43 167.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.469 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . -117.35 128.32 7.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 33.5 m-85 -141.48 158.47 43.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.27 -31.88 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 p -109.41 144.41 37.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -60.42 -50.85 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -43.71 -49.24 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -50.78 71.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 40.4 t -48.71 -43.77 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.1 -46.8 73.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -47.15 -57.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 12.6 t60 -56.3 -52.66 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 16.6 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 46.0 mttt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.488 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -14.86 36.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 73.6 m-85 -155.19 111.01 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 160.87 35.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.68 151.01 43.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -24.62 18.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -71.32 -60.29 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.92 -51.73 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.81 7.05 2.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -36.35 141.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.96 146.2 18.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.433 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 53.7 m-85 -151.31 179.65 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -127.29 -31.71 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -122.66 134.76 54.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -41.11 -50.21 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -47.54 -50.14 24.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -58.95 -46.99 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 20.0 t -57.26 -42.2 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.26 -49.84 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 t -42.65 -37.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -83.77 -45.49 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 43.4 mttt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.528 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.8 -17.65 37.27 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.294 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 51.0 m-85 -153.31 111.9 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -130.28 162.48 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.1 149.09 43.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -90.92 -23.06 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.31 -63.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 p -100.68 -52.36 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 18.2 1.78 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 6.7 tptp -43.63 162.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.79 138.86 15.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.5 m-85 -149.92 171.52 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.02 -33.47 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.5 p -114.0 139.2 49.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -49.15 -55.26 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -41.09 -50.16 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -58.68 -50.67 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 7.3 t -51.56 -48.02 63.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -47.69 -50.14 25.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -75.6 -48.45 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 69.5 mttt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.554 0.692 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.56 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.71 -14.86 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 65.0 m-85 -157.32 110.77 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.55 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -67.98 149.52 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -91.7 -23.43 19.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -72.72 -61.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 p -103.77 -52.4 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.05 22.54 1.54 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 23.1 tttp -50.33 159.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.29 141.16 15.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 59.8 m-85 -148.54 177.39 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.62 -30.15 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.4 p -123.4 133.74 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -40.44 -45.18 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -51.34 -53.38 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.91 -48.45 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 22.0 t -53.3 -46.09 69.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' HIS . 51.9 t80 -66.64 -55.21 16.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -38.11 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' TYR . 14.5 t60 -92.91 -46.6 7.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.869 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.6 mttt . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.521 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.82 -14.26 35.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 82.9 m-85 -157.77 111.88 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.96 158.13 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.05 146.7 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -90.18 -21.08 22.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.26 -60.75 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.26 -51.34 3.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 133.51 5.23 2.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -35.12 143.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.79 0.328 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.26 140.48 15.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 63.3 m-85 -146.76 176.51 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -123.99 -29.44 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.7 p -117.16 135.77 53.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -49.68 -42.06 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 t -50.74 -58.6 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -50.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.538 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 9.7 t -48.34 -43.35 33.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -73.52 -41.43 63.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 t -51.93 -54.85 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -56.34 -46.84 79.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 53.3 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -13.41 34.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 78.2 m-85 -161.55 114.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.17 164.49 27.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.33 151.61 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -25.79 17.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -70.62 -61.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.45 -51.54 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.39 10.04 2.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -37.91 141.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.68 143.98 17.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 60.1 m-85 -149.24 179.98 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -129.6 -33.16 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.1 p -118.18 127.77 54.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -38.81 -45.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -47.72 -53.07 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.72 -49.6 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.8 t -50.55 -45.61 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.08 -53.79 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -39.6 -50.26 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -72.72 -45.97 55.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 21.6 mttp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.531 0.682 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -25.0 29.21 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 60.7 m-85 -145.35 113.14 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -131.0 159.21 38.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.45 153.22 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.11 -26.69 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.43 -62.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.66 -53.22 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.62 19.57 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.77 158.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.76 137.73 13.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 60.2 m-85 -148.71 176.17 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -125.64 -30.13 3.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.947 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.3 p -119.05 134.66 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -46.18 -51.92 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -44.19 -50.3 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.11 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.2 t -55.03 -41.82 71.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -70.15 -48.36 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -44.37 -36.16 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -86.03 -46.18 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 48.7 mttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.422 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.74 -19.55 36.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 45.3 m-85 -146.3 108.72 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -131.78 162.63 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -69.28 149.17 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -91.28 -22.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.11 -63.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -101.23 -52.4 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.49 20.95 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.02 160.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.7 139.22 14.53 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 64.7 m-85 -150.47 173.83 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -122.09 -28.87 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -120.69 146.79 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.7 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -48.57 -41.5 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -70.6 -55.73 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 6.5 t -43.35 -37.24 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.34 -48.65 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 p -42.32 -37.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -87.64 -51.84 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 67.4 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -20.31 34.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 59.9 m-85 -149.94 113.3 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -131.98 163.2 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -71.78 149.78 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.44 -23.42 20.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -73.0 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.47 -52.8 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.16 21.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 2.4 tptp -46.43 164.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.413 ' HA3' ' NZ ' ' A' ' 11' ' ' LYS . . . -110.85 136.65 13.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 40.3 m-85 -146.88 174.52 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.87 -34.85 3.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.0 p -112.77 133.1 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -42.1 -59.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.5 m -39.9 -54.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.29 -44.03 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.2 t -59.1 -39.87 83.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 38.2 t80 -69.92 -55.76 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' TYR . 23.8 p -37.28 -37.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.38 -44.94 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 37.5 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.574 0.702 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.73 -22.61 32.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 67.7 m-85 -149.96 112.57 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 155.65 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -63.74 145.88 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.49 -18.61 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -77.38 -62.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -100.94 -51.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.96 14.03 2.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 7.3 tptt -40.6 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.317 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.517 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.09 137.31 13.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.538 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 44.3 m-85 -150.26 166.71 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -117.15 -31.86 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 p -112.67 126.18 55.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 18.2 t-20 -40.97 -57.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ASN . 29.2 m -37.56 -55.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.23 -55.05 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 t -46.13 -42.72 14.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -68.88 -48.03 64.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -46.9 -42.42 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.97 -50.82 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.865 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 15.9 mttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.562 0.696 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.586 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -16.94 37.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.2 m-85 -160.58 117.07 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -134.23 152.8 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -57.28 146.88 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -92.46 -23.91 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -68.52 -55.52 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.96 -50.81 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.02 -1.39 3.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 6.7 tptp -32.55 146.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.31 153.9 20.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 37.1 m-85 -157.92 150.47 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -93.3 -31.6 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 143.64 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -58.78 -34.26 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -57.4 -47.27 82.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.65 -49.23 71.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 35.8 t -47.11 -41.43 17.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.46 -44.58 67.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -45.8 -41.8 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -83.85 -50.32 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -150.02 167.65 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -156.04 166.07 34.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 -52.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -81.26 48.55 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -160.41 153.95 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.61 -67.88 0.78 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 t -46.66 107.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.81 -81.42 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 6.6 tp10 -129.85 153.06 48.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 66.4 mttt -139.06 158.94 68.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.552 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.78 -13.33 34.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 70.6 m-85 -158.26 114.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -133.31 159.2 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.1 t -66.57 148.84 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 -20.45 20.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 7.1 mm-40 -75.68 -61.26 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.3 -50.6 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.15 18.04 2.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 27.0 tttm -47.16 165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.07 142.4 16.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.426 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 45.7 m-85 -147.88 168.76 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -116.65 -30.21 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -121.85 135.08 54.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -44.38 -57.89 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -41.31 -48.96 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.88 -56.96 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.543 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.7 t -41.53 -51.09 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -59.69 -53.5 57.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' TYR . 9.8 t -35.86 -54.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' ND1' ' HD3' ' A' ' 20' ' ' LYS . 2.9 t60 -66.36 -47.34 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -42.47 -36.01 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -48.87 -51.3 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -39.04 -35.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 99.4 m-70 -79.56 47.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.0 p -162.84 124.65 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.06 -52.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.68 72.39 5.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -156.47 141.88 12.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.597 0.713 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 151.7 69.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.5 p -117.03 112.23 20.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.53 -92.27 2.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -7.4 20.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.8 p -160.06 142.6 13.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.3 p -135.54 136.94 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.46 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -59.33 97.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -97.26 42.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.81 59.46 3.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -91.18 83.9 5.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.824 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -83.28 -44.12 15.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.75 134.0 2.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 p -96.03 162.47 13.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.63 79.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.13 145.95 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 23.1 mttp -122.17 158.2 56.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.84 -20.01 35.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.6 m-85 -149.41 112.98 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -131.52 162.31 30.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.05 153.43 40.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -93.09 -26.98 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 10.5 mm-40 -70.33 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.5 p -102.06 -53.16 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.51 25.48 1.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -50.57 161.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.439 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -106.47 137.73 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 51.2 m-85 -148.54 178.03 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -125.67 -32.96 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 p -114.91 140.01 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -50.18 -53.15 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -42.71 -46.02 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -64.43 -52.58 57.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 t -52.47 -44.35 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -54.6 23.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -40.51 -47.3 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -68.66 -53.12 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -38.11 -50.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -46.35 -45.57 17.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.4 t -42.72 -48.77 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 69.8 m-70 -55.7 95.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.8 p -134.2 178.18 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.61 126.53 2.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -133.23 125.14 28.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -90.58 142.87 28.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 89.0 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.75 2.3 . . . . 0.0 112.325 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.2 p 45.92 42.01 8.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.17 83.89 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.46 16.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -118.73 84.27 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -148.14 157.88 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.485 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -132.47 151.77 51.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.925 0.393 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 p -69.24 -51.86 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.21 43.44 0.47 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -116.83 102.05 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' GLY . 69.1 m -111.28 81.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.32 41.45 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -54.67 -57.04 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.05 126.82 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -95.29 149.05 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.403 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 26.6 mttt -141.38 161.17 54.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.74 -13.66 35.05 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 62.2 m-85 -156.71 105.59 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -125.86 159.65 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -70.0 149.06 48.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -91.34 -22.36 20.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' CD ' ' CG ' ' A' ' 35' ' ' HIS . 35.5 mt-10 -73.74 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.8 p -101.56 -52.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.74 14.63 2.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.545 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -41.98 161.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.21 144.88 17.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 61.7 m-85 -154.34 178.12 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -126.11 -27.02 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -123.6 136.88 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -46.38 -55.59 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -37.08 -60.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -54.92 -57.23 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 46.6 t -44.33 -46.38 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.84 -48.09 69.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 t -45.08 -40.05 6.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -74.8 -48.07 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -43.15 -42.34 4.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -57.27 -49.13 77.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 t -39.3 -53.54 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CG ' ' CD ' ' A' ' 17' ' ' GLU . 40.5 m-70 -40.81 105.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 t -82.5 83.27 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.91 111.92 0.93 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 1.9 pp20? -86.62 43.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -150.12 153.33 35.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.5 Cg_endo -69.74 115.91 4.31 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' PRO . 3.1 m -35.99 -52.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.1 -151.69 16.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.26 2.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.256 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -123.89 90.1 3.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -48.6 106.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -56.95 171.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -119.6 135.76 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.97 114.45 1.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.3 m -93.01 115.51 28.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 5' ' ' SER . 36.7 t -37.62 -53.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.8 128.05 2.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -54.87 -51.89 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.375 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.82 -51.76 0.53 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 14.1 tt0 -175.02 145.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 47.0 mttt -132.0 161.54 62.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.438 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 75.1 m-85 -151.32 114.44 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -134.21 158.81 42.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.66 148.8 37.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -92.85 -23.31 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.486 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.8 mm-40 -71.81 -57.82 4.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -109.03 -50.23 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.99 5.31 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptt -33.41 141.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -90.85 144.69 17.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 48.2 m-85 -149.77 179.34 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -127.61 -28.89 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.4 p -125.13 127.79 47.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -43.48 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -48.72 -55.06 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -56.82 -58.02 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.55 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 34.0 t -41.23 -39.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -46.86 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 t -46.48 -42.14 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -82.29 -45.7 14.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -48.96 -42.83 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -66.39 -23.02 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 t -63.2 -44.1 96.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.486 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 48.4 m-70 -46.75 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -122.55 104.19 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.9 -133.86 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 121.9 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.32 147.25 12.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.6 p -126.47 144.53 50.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.64 -156.39 22.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -15.49 37.12 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -43.24 165.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.8 p -123.06 91.48 3.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.437 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -70.33 158.38 36.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -142.2 143.3 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.38 74.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -114.93 120.66 40.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -126.88 108.71 11.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.62 -48.71 27.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -93.27 174.14 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -82.37 1.66 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.08 151.64 38.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 51.6 mttt -131.55 160.62 66.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.458 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.82 -23.06 30.95 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 72.1 m-85 -150.72 116.11 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -134.03 162.15 32.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -67.87 151.44 47.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -92.37 -24.38 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 23.5 mp0 -72.42 -62.36 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.04 -53.01 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.29 20.52 1.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -44.27 164.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.428 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -104.82 134.69 12.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 48.4 m-85 -146.04 172.69 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -121.8 -28.73 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -120.85 153.25 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -62.01 -51.84 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -42.17 -52.57 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -61.33 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.8 t -40.3 -38.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.33 -46.22 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -47.64 -48.66 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.3 -50.36 68.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -38.74 -59.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -39.84 -48.0 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 t -40.93 -49.92 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 31.5 m-70 -45.7 107.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.5 t -57.43 141.11 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.06 40.11 2.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -86.02 161.03 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.27 133.51 10.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.529 0.681 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.58 68.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -81.11 -37.66 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.58 -99.29 2.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 134.53 28.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 p -98.2 123.82 42.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t -93.55 144.34 25.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.549 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -169.85 175.83 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -135.09 162.47 32.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.32 114.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 59.36 42.54 17.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -64.42 -45.83 85.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.93 155.17 38.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -153.04 163.31 40.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.87 172.83 19.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -109.62 154.78 22.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.955 0.407 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 23.8 mttp -153.41 161.99 27.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.582 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 -18.78 36.84 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 56.6 m-85 -161.79 118.39 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 162.61 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.69 150.68 48.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -92.96 -24.4 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 48.5 mm-40 -71.57 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.69 -51.32 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.89 7.27 2.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -37.3 141.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -89.58 146.53 18.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 73.2 m-85 -151.38 -178.19 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -128.68 -32.44 2.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -115.92 131.03 57.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -44.41 -54.2 6.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -45.12 -47.48 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.44 -55.09 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.6 t -45.43 -47.65 13.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -67.05 -45.0 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -45.29 -44.89 11.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' GLN . 4.7 t60 -71.02 -49.03 49.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 13.4 tt0 -37.03 -51.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -38.57 -48.45 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 t -40.21 -48.71 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.545 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.0 m-70 -59.9 147.95 36.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 m -88.94 150.59 22.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.21 -178.58 16.0 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -152.25 137.24 17.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.944 0.402 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -125.88 154.75 73.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.522 0.677 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 1.24 4.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.4 m -41.12 -60.78 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.11 168.75 40.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.7 3.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.8 p -80.09 50.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.818 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -121.69 83.74 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -139.55 155.98 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 t -62.66 154.18 30.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.56 170.77 35.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -150.91 166.48 30.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -106.59 83.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.32 102.18 1.02 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.473 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -71.28 91.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.935 0.398 . . . . 0.0 110.893 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.73 -173.24 16.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.88 -178.9 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.473 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 10.9 mttm -132.99 156.2 80.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.596 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -11.26 30.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 70.5 m-85 -157.68 109.93 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 145.96 50.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -51.05 144.14 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 pt-20 -89.76 -20.71 23.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' OE1' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -71.6 -55.28 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -110.76 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.94 2.75 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 22' ' ' PHE . 35.2 tttp -36.53 140.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.473 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -91.39 147.52 18.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 62.0 m-85 -148.9 163.32 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.405 ' C ' HG23 ' A' ' 24' ' ' THR . 21.7 m-85 -112.74 12.71 19.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.405 HG23 ' C ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -170.07 160.76 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.175 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -43.52 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -55.43 -43.16 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -67.35 -38.08 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 4.5 t -63.9 -37.44 87.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.89 -46.04 32.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -42.77 -48.09 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CG ' ' HD3' ' A' ' 20' ' ' LYS . 4.8 t60 -74.9 -50.37 17.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -41.64 -29.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -49.76 -43.65 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 t -51.9 -48.73 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.6 m-70 -61.08 132.54 54.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.2 m -157.4 143.66 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.86 135.75 5.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.67 37.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 146.69 32.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 91.02 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.258 . . . . 0.0 112.3 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 p -97.36 -41.77 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.53 -168.78 53.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 98.83 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.38 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 m -61.12 -59.36 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.8 t -118.6 146.72 44.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.445 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -149.54 114.32 5.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -108.31 155.09 20.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.38 40.01 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -62.0 94.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -122.0 81.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.33 -88.91 0.9 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 m -54.12 101.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.82 111.85 3.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -129.7 147.04 51.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 33.7 mttt -121.21 160.12 46.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.533 0.682 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -18.91 36.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.9 m-85 -152.36 111.28 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -128.11 153.62 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -64.37 149.33 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' H ' ' NE2' ' A' ' 32' ' ' GLN . 3.2 pt-20 -92.19 -21.7 20.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 56.2 mm-40 -74.47 -61.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.15 -51.87 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.48 22.81 1.61 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.576 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tptt -47.48 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.467 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -121.32 136.89 11.43 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.482 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 38.6 m-85 -150.89 168.76 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -116.02 -31.95 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.971 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -113.47 136.37 52.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -46.38 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.6 p -48.59 -40.93 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -70.5 -45.51 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.2 t -54.3 -45.26 72.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.21 -47.54 70.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -43.57 -51.7 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -70.74 -45.31 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.457 ' NE2' ' H ' ' A' ' 16' ' ' GLU . 7.3 mm-40 -47.0 -42.7 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -52.68 -42.85 65.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.1 m -45.64 -49.14 14.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 58.2 m-70 -52.5 106.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 t -111.12 38.12 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.96 134.76 52.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -109.22 82.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -95.68 149.05 35.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.91 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 135.93 31.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.4 m -83.27 78.96 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.48 72.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.75 3.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.1 p 51.53 52.89 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 m -82.23 -175.03 5.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.505 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t -135.28 125.43 26.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -88.86 103.15 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -80.08 -37.21 22.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 59.6 p -34.96 137.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.864 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -123.3 178.71 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.19 151.92 2.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -94.93 -59.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.51 170.88 35.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -70.49 168.58 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' CD ' ' CA ' ' A' ' 21' ' ' GLY . 30.9 mttp -146.83 158.08 46.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.73 -18.39 37.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 59.7 m-85 -158.48 124.54 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -133.69 163.6 29.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -75.92 153.29 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.15 -26.67 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 32.0 mp0 -70.71 -63.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -100.97 -53.15 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.08 26.41 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 5.8 ttpt -51.86 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.474 ' CA ' ' CD ' ' A' ' 11' ' ' LYS . . . -117.74 137.78 13.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.466 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -145.58 146.26 31.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -95.85 -27.17 15.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -122.76 140.64 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.6 t30 -49.19 -61.53 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 m -35.07 -56.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -54.25 -57.49 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 32.9 t -41.82 -44.0 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.2 -51.59 20.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -41.32 -28.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -90.73 -45.84 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -46.04 -38.57 8.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -66.03 -36.37 83.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -50.76 -39.79 53.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.2 m-70 -54.88 144.26 23.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.3 p -107.13 78.01 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.33 -106.2 3.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -149.61 160.4 43.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -115.37 134.68 22.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.51 3.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -47.93 164.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.64 144.81 4.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 109.91 2.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.8 t -43.48 -59.43 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.3 p -136.8 117.75 14.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.531 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.8 p -112.56 91.66 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.823 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -106.73 168.78 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.17 128.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 m -126.44 85.53 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -128.71 105.77 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.47 49.5 26.32 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.9 t -70.51 86.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 40.89 73.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 5.4 tp10 -94.56 150.22 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' ' CA ' ' A' ' 21' ' ' GLY . 14.5 mttt -137.91 155.9 74.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -13.76 35.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 81.6 m-85 -157.58 110.48 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -130.26 152.31 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -64.24 147.96 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -90.87 -19.97 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 5.1 mm-40 -76.27 -62.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -101.4 -51.85 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 21.15 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.595 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.2 tptp -44.43 167.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.469 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . -117.35 128.32 7.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 33.5 m-85 -141.48 158.47 43.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.27 -31.88 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 p -109.41 144.41 37.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -60.42 -50.85 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -43.71 -49.24 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -50.78 71.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.57 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 40.4 t -48.71 -43.77 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.1 -46.8 73.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -47.15 -57.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 12.6 t60 -56.3 -52.66 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 16.6 tt0 -36.92 -53.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -42.84 -45.38 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -40.45 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 89.4 m-70 -57.66 136.58 56.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 m -120.93 95.38 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.8 161.91 37.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -96.71 145.72 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.398 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -143.42 154.06 59.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 168.52 21.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.305 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -105.39 -58.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.65 146.01 7.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.77 -6.46 18.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.8 m -51.56 89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' PRO . 58.0 m -164.17 122.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.469 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -54.59 -52.79 61.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m 53.73 42.21 31.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.95 41.61 96.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -67.09 90.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -82.73 158.45 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.24 151.55 5.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -77.17 127.73 33.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.46 -50.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -54.6 143.15 25.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 46.0 mttt -134.3 159.42 72.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -14.86 36.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 73.6 m-85 -155.19 111.01 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 160.87 35.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.68 151.01 43.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -24.62 18.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 61.9 mm-40 -71.32 -60.29 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.92 -51.73 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.81 7.05 2.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -36.35 141.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.96 146.2 18.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.433 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 53.7 m-85 -151.31 179.65 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -127.29 -31.71 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -122.66 134.76 54.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -41.11 -50.21 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -47.54 -50.14 24.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -58.95 -46.99 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 20.0 t -57.26 -42.2 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.26 -49.84 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . 6.9 t -42.65 -37.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -83.77 -45.49 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -46.05 -52.04 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 7.7 ptp85 -54.67 -31.64 58.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 t -56.27 -48.05 77.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 24.6 m-70 -42.43 100.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.7 m -155.55 173.97 15.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.44 -49.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -95.09 144.97 25.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -67.12 142.09 96.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -4.4 13.93 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.8 m -86.92 -61.68 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.54 153.98 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.65 5.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -102.48 42.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -114.18 42.16 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.48 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -167.27 154.97 9.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -115.16 94.09 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.19 106.05 1.65 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -86.47 -47.12 9.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -64.2 147.99 51.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.01 -173.33 23.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -104.67 153.97 20.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.51 43.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -100.39 143.35 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 43.4 mttt -144.94 160.34 46.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.528 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.8 -17.65 37.27 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.294 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 51.0 m-85 -153.31 111.9 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -130.28 162.48 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.1 149.09 43.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -90.92 -23.06 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.2 mm-40 -73.31 -63.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 p -100.68 -52.36 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 18.2 1.78 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 6.7 tptp -43.63 162.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.79 138.86 15.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 34.5 m-85 -149.92 171.52 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.02 -33.47 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.5 p -114.0 139.2 49.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -49.15 -55.26 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -41.09 -50.16 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -58.68 -50.67 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 7.3 t -51.56 -48.02 63.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -47.69 -50.14 25.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -75.6 -48.45 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -40.73 -43.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 34' ' ' SER . 37.5 mtm180 -53.73 -46.7 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' SER . 31.2 t -37.07 -51.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -54.48 86.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' SER . 27.4 m -117.22 -56.26 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.3 136.43 12.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.85 146.32 49.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.96 0.409 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -124.6 142.09 39.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.563 0.697 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 140.61 42.95 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.1 m -101.58 142.17 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.81 -157.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -18.34 37.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.751 2.301 . . . . 0.0 112.334 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -166.64 134.89 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.5 p -119.5 112.59 19.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.554 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 1' ' ' GLY . 34.7 t -34.5 142.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -88.19 -48.79 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.32 59.36 1.54 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -132.24 -46.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.0 110.859 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -91.64 93.23 8.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.97 103.37 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -130.82 155.5 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.71 102.85 0.54 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -74.63 168.93 18.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.393 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 69.5 mttt -148.65 161.16 34.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.71 -14.86 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 65.0 m-85 -157.32 110.77 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.55 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -67.98 149.52 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -91.7 -23.43 19.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.0 mp0 -72.72 -61.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 p -103.77 -52.4 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.05 22.54 1.54 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.558 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 23.1 tttp -50.33 159.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.29 141.16 15.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 59.8 m-85 -148.54 177.39 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.62 -30.15 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.4 p -123.4 133.74 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -40.44 -45.18 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -51.34 -53.38 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.91 -48.45 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 22.0 t -53.3 -46.09 69.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' HIS . 51.9 t80 -66.64 -55.21 16.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -38.11 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' TYR . 14.5 t60 -92.91 -46.6 7.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -49.5 -50.01 43.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -45.73 -34.5 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.2 t -58.84 -48.54 80.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 41.2 m-70 -49.59 132.95 21.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 99.2 p -172.78 113.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.83 48.63 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -118.1 111.21 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.23 119.48 64.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -27.07 27.03 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 t -137.82 168.42 19.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.27 82.9 1.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.01 3.91 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -81.0 109.75 15.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.8 p -94.16 171.94 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.481 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -172.4 112.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -121.87 91.25 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.826 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.81 132.06 11.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 p -83.16 160.4 21.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -95.19 -51.95 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.79 70.4 0.85 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -159.68 128.65 5.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.936 0.398 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.33 -90.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -157.51 -179.45 8.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.6 mttt -120.82 160.53 44.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.521 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.82 -14.26 35.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 82.9 m-85 -157.77 111.88 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.96 158.13 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.05 146.7 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -90.18 -21.08 22.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 7.1 mm-40 -74.26 -60.75 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.26 -51.34 3.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 133.51 5.23 2.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -35.12 143.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.79 0.328 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.26 140.48 15.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 63.3 m-85 -146.76 176.51 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -123.99 -29.44 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.7 p -117.16 135.77 53.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -49.68 -42.06 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 t -50.74 -58.6 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -50.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.538 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 9.7 t -48.34 -43.35 33.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -73.52 -41.43 63.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 t -51.93 -54.85 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -56.34 -46.84 79.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -41.37 -42.4 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -40.78 -45.95 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -44.93 -50.21 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 98.1 m-70 -63.92 -44.67 92.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -50.8 107.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.74 -49.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -48.98 128.07 15.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.916 0.388 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -59.62 137.99 89.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.549 0.69 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -28.68 25.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 m -148.42 126.89 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.74 121.71 7.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -28.53 25.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.7 p -65.73 140.88 58.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' GLY . 16.1 m -111.35 138.68 47.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -159.1 155.68 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -75.51 174.97 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.11 -42.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -118.83 161.47 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -73.38 179.76 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.22 -142.27 15.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -56.02 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.49 44.27 0.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -161.8 162.23 29.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 53.3 mttt -153.05 161.94 27.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -13.41 34.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 78.2 m-85 -161.55 114.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.17 164.49 27.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.33 151.61 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -25.79 17.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.5 mm-40 -70.62 -61.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.45 -51.54 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.39 10.04 2.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -37.91 141.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.68 143.98 17.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 60.1 m-85 -149.24 179.98 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -129.6 -33.16 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.1 p -118.18 127.77 54.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -38.81 -45.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -47.72 -53.07 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.72 -49.6 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.562 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.8 t -50.55 -45.61 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.08 -53.79 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -39.6 -50.26 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -72.72 -45.97 55.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -48.86 -44.83 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.85 -24.57 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 t -60.18 -46.24 90.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 22.1 m-70 -39.51 -54.46 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.4 t -73.94 100.65 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.12 -78.4 0.15 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.44 175.72 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.64 147.0 19.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 153.9 68.17 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -94.99 40.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.53 -157.75 0.57 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 124.5 11.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -161.46 147.39 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 t -46.59 117.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.473 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -124.08 109.93 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -123.98 127.9 48.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -74.25 142.29 30.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.2 m -35.56 151.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 m -65.68 177.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.54 -162.74 34.9 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -89.01 130.74 35.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.15 41.13 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 2.6 tp10 -102.26 150.64 23.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 21.6 mttp -143.99 159.97 51.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.531 0.682 . . . . 0.0 110.971 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.426 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -25.0 29.21 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 60.7 m-85 -145.35 113.14 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -131.0 159.21 38.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.45 153.22 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.11 -26.69 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 11.7 mm-40 -70.43 -62.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.66 -53.22 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.62 19.57 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.77 158.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.76 137.73 13.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 60.2 m-85 -148.71 176.17 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -125.64 -30.13 3.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.947 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.3 p -119.05 134.66 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -46.18 -51.92 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -44.19 -50.3 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.11 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.56 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.2 t -55.03 -41.82 71.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -70.15 -48.36 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -44.37 -36.16 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -86.03 -46.18 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -43.52 -42.04 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -63.18 -34.61 78.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 p -48.6 -41.73 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.821 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.415 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.1 m-70 -57.21 127.16 30.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.9 p -84.16 46.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.89 -60.05 1.09 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.61 117.53 7.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -111.19 147.56 36.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.51 0.671 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.24 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.68 2.254 . . . . 0.0 112.362 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.0 p -51.44 156.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.93 -75.32 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 168.96 20.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -53.78 155.3 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.6 t -53.62 -55.56 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 p -51.39 166.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -117.02 107.35 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.39 55.95 0.7 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -159.96 166.15 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -71.27 -42.88 68.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.6 -87.32 1.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 t 58.27 44.69 18.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.81 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.89 132.52 11.15 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -47.99 146.94 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.957 0.408 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 48.7 mttt -138.71 157.85 71.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.422 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.74 -19.55 36.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 45.3 m-85 -146.3 108.72 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -131.78 162.63 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -69.28 149.17 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -91.28 -22.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 68.8 mm-40 -74.11 -63.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -101.23 -52.4 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.49 20.95 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.02 160.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.7 139.22 14.53 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 64.7 m-85 -150.47 173.83 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -122.09 -28.87 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -120.69 146.79 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.7 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -48.57 -41.5 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -70.6 -55.73 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 6.5 t -43.35 -37.24 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.34 -48.65 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 p -42.32 -37.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -87.64 -51.84 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -40.62 -50.15 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 34' ' ' SER . 28.1 ptt180 -46.57 -45.68 18.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 33' ' ' ARG . 36.6 t -41.32 -54.11 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.487 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 77.0 m-70 -46.77 137.17 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 m -143.48 147.08 33.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.11 -126.04 10.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -116.72 145.58 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -45.87 149.5 1.16 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 169.49 18.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 p -85.94 49.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.02 124.17 5.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -32.06 19.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.242 . . . . 0.0 112.375 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 p -146.24 144.31 29.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 m -97.48 -55.84 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.491 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 p -90.27 174.53 7.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -73.12 105.41 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.56 -88.1 0.46 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -74.36 135.41 42.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -44.86 -54.68 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.41 70.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.9 p -174.31 176.04 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.44 41.02 98.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -76.76 164.55 25.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.383 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 67.4 mttt -138.74 159.43 67.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -20.31 34.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 59.9 m-85 -149.94 113.3 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -131.98 163.2 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -71.78 149.78 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.44 -23.42 20.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 66.8 mm-40 -73.0 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.47 -52.8 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.16 21.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 2.4 tptp -46.43 164.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.413 ' HA3' ' NZ ' ' A' ' 11' ' ' LYS . . . -110.85 136.65 13.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 40.3 m-85 -146.88 174.52 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.87 -34.85 3.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.0 p -112.77 133.1 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -42.1 -59.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.5 m -39.9 -54.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.29 -44.03 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.2 t -59.1 -39.87 83.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 38.2 t80 -69.92 -55.76 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' TYR . 23.8 p -37.28 -37.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.38 -44.94 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -49.03 -36.6 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -64.92 -44.08 90.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 t -43.61 -53.7 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.6 m-70 -40.93 110.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.6 m -118.16 107.48 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.58 139.46 14.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.77 94.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -91.28 128.93 45.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -44.44 2.11 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 m -127.25 97.25 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.03 173.22 22.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 168.51 21.44 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -101.93 -44.04 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -91.4 -56.15 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.473 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -84.32 -38.13 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -90.65 130.69 36.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.19 90.6 0.21 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 55.11 42.37 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -102.57 41.83 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.72 147.66 4.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.2 t -87.77 149.66 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.07 -163.9 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -110.53 -176.68 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 37.5 mttt -129.29 161.94 55.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.73 -22.61 32.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 67.7 m-85 -149.96 112.57 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 155.65 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -63.74 145.88 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.49 -18.61 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 25.9 mp0 -77.38 -62.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -100.94 -51.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.96 14.03 2.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 7.3 tptt -40.6 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.317 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.517 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.09 137.31 13.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.538 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 44.3 m-85 -150.26 166.71 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -117.15 -31.86 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 p -112.67 126.18 55.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 18.2 t-20 -40.97 -57.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ASN . 29.2 m -37.56 -55.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.23 -55.05 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 t -46.13 -42.72 14.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -68.88 -48.03 64.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -46.9 -42.42 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.97 -50.82 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -38.97 -56.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.0 mtm105 -39.39 -47.13 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -40.44 -49.59 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.7 m-70 -51.41 145.01 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 m -113.35 146.31 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.25 -42.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.99 48.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -116.32 109.22 44.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.48 7.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -77.52 131.7 38.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.04 165.56 17.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -39.64 6.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.8 p -153.54 145.94 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 p -89.29 147.66 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.542 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -132.31 146.06 51.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -55.32 -42.82 74.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.99 -93.08 0.78 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p -116.23 170.8 8.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.83 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -81.99 47.94 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.23 -154.79 20.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -84.66 -43.55 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.08 -109.18 0.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.431 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -170.46 -179.93 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 15.9 mttp -122.48 162.36 38.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.586 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -16.94 37.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.2 m-85 -160.58 117.07 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -134.23 152.8 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -57.28 146.88 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -92.46 -23.91 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 59.8 mm-40 -68.52 -55.52 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.96 -50.81 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.02 -1.39 3.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 6.7 tptp -32.55 146.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.31 153.9 20.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 37.1 m-85 -157.92 150.47 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -93.3 -31.6 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 143.64 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -58.78 -34.26 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -57.4 -47.27 82.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.65 -49.23 71.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 35.8 t -47.11 -41.43 17.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.46 -44.58 67.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -45.8 -41.8 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -83.85 -50.32 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -42.16 -52.19 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -54.35 -37.14 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' HIS . 7.8 t -50.5 -52.34 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 22.4 m-70 -36.12 -64.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 p -74.43 152.9 39.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.29 -94.05 0.67 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 3.1 pm0 -99.73 136.91 38.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HD3' ' C ' ' A' ' 38' ' ' GLU . 2.3 mppt? -138.87 139.77 24.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -76.34 125.86 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.5 164.12 12.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 104.96 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.236 . . . . 0.0 112.31 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 m -81.01 44.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 t -67.36 -42.27 83.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.468 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.543 0.687 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.552 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.78 -13.33 34.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 70.6 m-85 -158.26 114.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -133.31 159.2 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.1 t -66.57 148.84 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 -20.45 20.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -75.68 -61.26 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.3 -50.6 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.15 18.04 2.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 27.0 tttm -47.16 165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.07 142.4 16.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.426 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 45.7 m-85 -147.88 168.76 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -116.65 -30.21 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -121.85 135.08 54.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -44.38 -57.89 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -41.31 -48.96 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.88 -56.96 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.7 t -41.53 -51.09 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -59.69 -53.5 57.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' TYR . 9.8 t -35.86 -54.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' ND1' ' HD3' ' A' ' 20' ' ' LYS . 2.9 t60 -66.36 -47.34 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 23.1 mttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.6 0.714 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.84 -20.01 35.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.6 m-85 -149.41 112.98 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -131.52 162.31 30.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.05 153.43 40.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -93.09 -26.98 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -70.33 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.5 p -102.06 -53.16 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.51 25.48 1.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -50.57 161.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -106.47 137.73 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 51.2 m-85 -148.54 178.03 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -125.67 -32.96 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 p -114.91 140.01 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -50.18 -53.15 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -42.71 -46.02 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -64.43 -52.58 57.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 t -52.47 -44.35 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -54.6 23.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -40.51 -47.3 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -68.66 -53.12 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 26.6 mttt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.565 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.74 -13.66 35.05 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 62.2 m-85 -156.71 105.59 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -125.86 159.65 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -70.0 149.06 48.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -91.34 -22.36 20.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.74 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.8 p -101.56 -52.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.74 14.63 2.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -41.98 161.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.21 144.88 17.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 61.7 m-85 -154.34 178.12 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -126.11 -27.02 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -123.6 136.88 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -46.38 -55.59 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -37.08 -60.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -54.92 -57.23 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 46.6 t -44.33 -46.38 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.84 -48.09 69.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 t -45.08 -40.05 6.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -74.8 -48.07 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 75.1 m-85 -151.32 114.44 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -134.21 158.81 42.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.66 148.8 37.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -92.85 -23.31 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -71.81 -57.82 4.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -109.03 -50.23 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.99 5.31 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptt -33.41 141.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -90.85 144.69 17.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 48.2 m-85 -149.77 179.34 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -127.61 -28.89 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.4 p -125.13 127.79 47.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -43.48 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -48.72 -55.06 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -56.82 -58.02 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 34.0 t -41.23 -39.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -46.86 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 t -46.48 -42.14 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -82.29 -45.7 14.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 51.6 mttt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.82 -23.06 30.95 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 72.1 m-85 -150.72 116.11 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -134.03 162.15 32.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -67.87 151.44 47.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -92.37 -24.38 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -72.42 -62.36 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.04 -53.01 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.29 20.52 1.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -44.27 164.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.45 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -104.82 134.69 12.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 48.4 m-85 -146.04 172.69 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -121.8 -28.73 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -120.85 153.25 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -62.01 -51.84 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -42.17 -52.57 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -61.33 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.8 t -40.3 -38.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.33 -46.22 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -47.64 -48.66 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.3 -50.36 68.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 23.8 mttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.582 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 -18.78 36.84 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 56.6 m-85 -161.79 118.39 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 162.61 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.69 150.68 48.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -92.96 -24.4 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -71.57 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.69 -51.32 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.89 7.27 2.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -37.3 141.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.477 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -89.58 146.53 18.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 73.2 m-85 -151.38 -178.19 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -128.68 -32.44 2.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -115.92 131.03 57.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -44.41 -54.2 6.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -45.12 -47.48 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.44 -55.09 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.6 t -45.43 -47.65 13.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -67.05 -45.0 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -45.29 -44.89 11.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' GLN . 1.4 t-80 -71.02 -49.03 49.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 13.4 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 10.9 mttm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.569 0.7 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.596 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -11.26 30.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 70.5 m-85 -157.68 109.93 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 145.96 50.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -51.05 144.14 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 pt-20 -89.76 -20.71 23.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' OE1' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -71.6 -55.28 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -110.76 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.94 2.75 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HD3' ' CG ' ' A' ' 31' ' ' HIS . 35.2 tttp -36.53 140.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.487 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -91.39 147.52 18.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 62.0 m-85 -148.9 163.32 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -112.74 12.71 19.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -170.07 160.76 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.175 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -43.52 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -55.43 -43.16 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 24' ' ' THR . 3.8 mm100 -67.35 -38.08 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 4.5 t -63.9 -37.44 87.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.89 -46.04 32.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -42.77 -48.09 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CG ' ' HD3' ' A' ' 20' ' ' LYS . 4.8 t60 -74.9 -50.37 17.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.481 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 33.7 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.533 0.682 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -18.91 36.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.9 m-85 -152.36 111.28 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -128.11 153.62 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -64.37 149.33 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -92.19 -21.7 20.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -74.47 -61.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.15 -51.87 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.48 22.81 1.61 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tptt -47.48 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.481 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -121.32 136.89 11.43 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.482 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 38.6 m-85 -150.89 168.76 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -116.02 -31.95 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.971 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -113.47 136.37 52.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -46.38 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.6 p -48.59 -40.93 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -70.5 -45.51 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.2 t -54.3 -45.26 72.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.21 -47.54 70.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -43.57 -51.7 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -70.74 -45.31 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 30.9 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.73 -18.39 37.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 12' ' ' PRO . 59.7 m-85 -158.48 124.54 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -133.69 163.6 29.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -75.92 153.29 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.15 -26.67 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -70.71 -63.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -100.97 -53.15 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.08 26.41 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 5.8 ttpt -51.86 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.475 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -117.74 137.78 13.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.466 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -145.58 146.26 31.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -95.85 -27.17 15.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -122.76 140.64 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.6 t30 -49.19 -61.53 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 m -35.07 -56.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -54.25 -57.49 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.55 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 32.9 t -41.82 -44.0 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.2 -51.59 20.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -41.32 -28.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -90.73 -45.84 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD3' ' CA ' ' A' ' 21' ' ' GLY . 14.5 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -13.76 35.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 81.6 m-85 -157.58 110.48 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -130.26 152.31 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -64.24 147.96 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -90.87 -19.97 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.27 -62.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -101.4 -51.85 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 21.15 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.604 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.2 tptp -44.43 167.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.492 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . -117.35 128.32 7.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 33.5 m-85 -141.48 158.47 43.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.27 -31.88 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 p -109.41 144.41 37.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -60.42 -50.85 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -43.71 -49.24 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -61.3 -50.78 71.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 40.4 t -48.71 -43.77 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.1 -46.8 73.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -47.15 -57.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 3.9 t-80 -56.3 -52.66 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 16.6 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 46.0 mttt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.488 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -14.86 36.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 73.6 m-85 -155.19 111.01 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 160.87 35.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.68 151.01 43.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -24.62 18.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -71.32 -60.29 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.92 -51.73 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.81 7.05 2.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -36.35 141.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.96 146.2 18.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.433 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 53.7 m-85 -151.31 179.65 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -127.29 -31.71 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -122.66 134.76 54.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -41.11 -50.21 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -47.54 -50.14 24.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -58.95 -46.99 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 20.0 t -57.26 -42.2 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.26 -49.84 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 t -42.65 -37.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -83.77 -45.49 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 43.4 mttt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.528 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.8 -17.65 37.27 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.294 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 51.0 m-85 -153.31 111.9 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -130.28 162.48 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.1 149.09 43.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -90.92 -23.06 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.31 -63.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 p -100.68 -52.36 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 18.2 1.78 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 6.7 tptp -43.63 162.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.79 138.86 15.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 34.5 m-85 -149.92 171.52 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.02 -33.47 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.5 p -114.0 139.2 49.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -49.15 -55.26 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -41.09 -50.16 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -58.68 -50.67 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 7.3 t -51.56 -48.02 63.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -47.69 -50.14 25.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -75.6 -48.45 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 69.5 mttt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.554 0.692 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.56 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.71 -14.86 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 65.0 m-85 -157.32 110.77 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.55 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -67.98 149.52 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -91.7 -23.43 19.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -72.72 -61.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 p -103.77 -52.4 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.05 22.54 1.54 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 23.1 tttp -50.33 159.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.29 141.16 15.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 59.8 m-85 -148.54 177.39 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.62 -30.15 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.4 p -123.4 133.74 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -40.44 -45.18 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -51.34 -53.38 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.91 -48.45 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 22.0 t -53.3 -46.09 69.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' HIS . 51.9 t80 -66.64 -55.21 16.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -38.11 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' TYR . 14.5 t60 -92.91 -46.6 7.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.869 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 48.6 mttt . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.521 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.82 -14.26 35.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 82.9 m-85 -157.77 111.88 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.96 158.13 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.05 146.7 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -90.18 -21.08 22.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.26 -60.75 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.26 -51.34 3.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 133.51 5.23 2.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -35.12 143.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.79 0.328 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -93.26 140.48 15.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 63.3 m-85 -146.76 176.51 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -123.99 -29.44 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.7 p -117.16 135.77 53.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -49.68 -42.06 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 t -50.74 -58.6 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -50.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 9.7 t -48.34 -43.35 33.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -73.52 -41.43 63.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 t -51.93 -54.85 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -56.34 -46.84 79.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 53.3 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -13.41 34.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 78.2 m-85 -161.55 114.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.17 164.49 27.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.33 151.61 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -25.79 17.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -70.62 -61.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.45 -51.54 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.39 10.04 2.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -37.91 141.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.68 143.98 17.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 60.1 m-85 -149.24 179.98 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -129.6 -33.16 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.1 p -118.18 127.77 54.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -38.81 -45.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -47.72 -53.07 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.72 -49.6 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.8 t -50.55 -45.61 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.08 -53.79 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -39.6 -50.26 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -72.72 -45.97 55.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 21.6 mttp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.531 0.682 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -25.0 29.21 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 60.7 m-85 -145.35 113.14 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -131.0 159.21 38.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.45 153.22 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.11 -26.69 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.43 -62.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.66 -53.22 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.62 19.57 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.77 158.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.76 137.73 13.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 60.2 m-85 -148.71 176.17 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -125.64 -30.13 3.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.947 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.3 p -119.05 134.66 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -46.18 -51.92 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -44.19 -50.3 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.11 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.2 t -55.03 -41.82 71.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -70.15 -48.36 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -44.37 -36.16 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -86.03 -46.18 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 48.7 mttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.422 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.74 -19.55 36.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 45.3 m-85 -146.3 108.72 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -131.78 162.63 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -69.28 149.17 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -91.28 -22.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.11 -63.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -101.23 -52.4 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.49 20.95 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.02 160.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.7 139.22 14.53 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 64.7 m-85 -150.47 173.83 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -122.09 -28.87 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -120.69 146.79 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.7 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -48.57 -41.5 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -70.6 -55.73 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 6.5 t -43.35 -37.24 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.34 -48.65 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 p -42.32 -37.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -87.64 -51.84 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 67.4 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -20.31 34.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 59.9 m-85 -149.94 113.3 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -131.98 163.2 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -71.78 149.78 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.44 -23.42 20.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -73.0 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.47 -52.8 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.16 21.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 2.4 tptp -46.43 164.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.414 ' HA3' ' NZ ' ' A' ' 11' ' ' LYS . . . -110.85 136.65 13.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 40.3 m-85 -146.88 174.52 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.87 -34.85 3.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.0 p -112.77 133.1 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -42.1 -59.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.5 m -39.9 -54.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.29 -44.03 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.2 t -59.1 -39.87 83.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 38.2 t80 -69.92 -55.76 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' TYR . 23.8 p -37.28 -37.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.38 -44.94 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 37.5 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.574 0.702 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.73 -22.61 32.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 67.7 m-85 -149.96 112.57 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 155.65 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -63.74 145.88 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.49 -18.61 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -77.38 -62.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -100.94 -51.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.96 14.03 2.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 7.3 tptt -40.6 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.317 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.517 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.09 137.31 13.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.538 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 44.3 m-85 -150.26 166.71 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -117.15 -31.86 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 p -112.67 126.18 55.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 18.2 t-20 -40.97 -57.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ASN . 29.2 m -37.56 -55.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.23 -55.05 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 t -46.13 -42.72 14.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -68.88 -48.03 64.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -46.9 -42.42 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.97 -50.82 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.865 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 15.9 mttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.562 0.696 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.586 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -16.94 37.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.2 m-85 -160.58 117.07 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -134.23 152.8 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -57.28 146.88 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -92.46 -23.91 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -68.52 -55.52 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.96 -50.81 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.02 -1.39 3.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 6.7 tptp -32.55 146.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.31 153.9 20.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 37.1 m-85 -157.92 150.47 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -93.3 -31.6 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 143.64 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -58.78 -34.26 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -57.4 -47.27 82.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.65 -49.23 71.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 35.8 t -47.11 -41.43 17.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.46 -44.58 67.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -45.8 -41.8 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -83.85 -50.32 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -150.02 167.65 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -156.04 166.07 34.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 -52.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -81.26 48.55 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -160.41 153.95 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.61 -67.88 0.78 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 t -46.66 107.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.81 -81.42 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 6.6 tp10 -129.85 153.06 48.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 66.4 mttt -139.06 158.94 68.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.552 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.78 -13.33 34.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 70.6 m-85 -158.26 114.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -133.31 159.2 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.1 t -66.57 148.84 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 -20.45 20.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 7.1 mm-40 -75.68 -61.26 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.3 -50.6 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.15 18.04 2.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 27.0 tttm -47.16 165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.07 142.4 16.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.426 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 45.7 m-85 -147.88 168.76 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -116.65 -30.21 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -121.85 135.08 54.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -44.38 -57.89 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -41.31 -48.96 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.88 -56.96 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.7 t -41.53 -51.09 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -59.69 -53.5 57.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' TYR . 9.8 t -35.86 -54.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' ND1' ' HD3' ' A' ' 20' ' ' LYS . 2.9 t60 -66.36 -47.34 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -42.47 -36.01 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -48.87 -51.3 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -39.04 -35.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 99.4 m-70 -79.56 47.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.0 p -162.84 124.65 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.06 -52.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.68 72.39 5.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -156.47 141.88 12.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.597 0.713 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 151.7 69.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.5 p -117.03 112.23 20.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.53 -92.27 2.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -7.4 20.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.8 p -160.06 142.6 13.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.3 p -135.54 136.94 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.46 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -59.33 97.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -97.26 42.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.81 59.46 3.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -91.18 83.9 5.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.824 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -83.28 -44.12 15.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.75 134.0 2.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 p -96.03 162.47 13.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.63 79.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.13 145.95 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 23.1 mttp -122.17 158.2 56.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.84 -20.01 35.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.6 m-85 -149.41 112.98 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -131.52 162.31 30.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.05 153.43 40.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -93.09 -26.98 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 10.5 mm-40 -70.33 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.5 p -102.06 -53.16 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.51 25.48 1.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -50.57 161.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -106.47 137.73 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 51.2 m-85 -148.54 178.03 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -125.67 -32.96 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 p -114.91 140.01 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -50.18 -53.15 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -42.71 -46.02 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -64.43 -52.58 57.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 t -52.47 -44.35 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -54.6 23.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -40.51 -47.3 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -68.66 -53.12 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -38.11 -50.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -46.35 -45.57 17.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.4 t -42.72 -48.77 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.496 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 69.8 m-70 -55.7 95.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.8 p -134.2 178.18 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.61 126.53 2.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -133.23 125.14 28.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -90.58 142.87 28.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 89.0 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.75 2.3 . . . . 0.0 112.325 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.2 p 45.92 42.01 8.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.17 83.89 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.46 16.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -118.73 84.27 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -148.14 157.88 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.485 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -132.47 151.77 51.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.925 0.393 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 p -69.24 -51.86 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.21 43.44 0.47 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -116.83 102.05 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' GLY . 69.1 m -111.28 81.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.32 41.45 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -54.67 -57.04 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.05 126.82 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -95.29 149.05 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.403 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 26.6 mttt -141.38 161.17 54.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.74 -13.66 35.05 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 62.2 m-85 -156.71 105.59 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -125.86 159.65 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -70.0 149.06 48.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -91.34 -22.36 20.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' CD ' ' CG ' ' A' ' 35' ' ' HIS . 35.5 mt-10 -73.74 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.8 p -101.56 -52.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.74 14.63 2.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -41.98 161.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.21 144.88 17.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 61.7 m-85 -154.34 178.12 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -126.11 -27.02 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -123.6 136.88 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -46.38 -55.59 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -37.08 -60.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -54.92 -57.23 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 46.6 t -44.33 -46.38 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.84 -48.09 69.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 t -45.08 -40.05 6.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -74.8 -48.07 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -43.15 -42.34 4.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -57.27 -49.13 77.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 t -39.3 -53.54 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CG ' ' CD ' ' A' ' 17' ' ' GLU . 40.5 m-70 -40.81 105.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 t -82.5 83.27 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.91 111.92 0.93 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 1.9 pp20? -86.62 43.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -150.12 153.33 35.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.5 Cg_endo -69.74 115.91 4.31 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' PRO . 3.1 m -35.99 -52.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.1 -151.69 16.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.26 2.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.256 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -123.89 90.1 3.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -48.6 106.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -56.95 171.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -119.6 135.76 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.97 114.45 1.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.3 m -93.01 115.51 28.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 5' ' ' SER . 36.7 t -37.62 -53.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.8 128.05 2.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -54.87 -51.89 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.375 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.82 -51.76 0.53 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 14.1 tt0 -175.02 145.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 47.0 mttt -132.0 161.54 62.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 75.1 m-85 -151.32 114.44 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -134.21 158.81 42.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.66 148.8 37.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -92.85 -23.31 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.8 mm-40 -71.81 -57.82 4.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -109.03 -50.23 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.99 5.31 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptt -33.41 141.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -90.85 144.69 17.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 48.2 m-85 -149.77 179.34 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -127.61 -28.89 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.4 p -125.13 127.79 47.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -43.48 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -48.72 -55.06 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -56.82 -58.02 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 34.0 t -41.23 -39.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -46.86 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 t -46.48 -42.14 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -82.29 -45.7 14.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -48.96 -42.83 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -66.39 -23.02 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 t -63.2 -44.1 96.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 48.4 m-70 -46.75 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -122.55 104.19 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.9 -133.86 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 121.9 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.32 147.25 12.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.6 p -126.47 144.53 50.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.64 -156.39 22.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -15.49 37.12 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -43.24 165.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.8 p -123.06 91.48 3.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.437 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -70.33 158.38 36.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -142.2 143.3 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.38 74.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -114.93 120.66 40.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -126.88 108.71 11.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.62 -48.71 27.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -93.27 174.14 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -82.37 1.66 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.08 151.64 38.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 51.6 mttt -131.55 160.62 66.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.82 -23.06 30.95 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 72.1 m-85 -150.72 116.11 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -134.03 162.15 32.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -67.87 151.44 47.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -92.37 -24.38 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 23.5 mp0 -72.42 -62.36 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.04 -53.01 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.29 20.52 1.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -44.27 164.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -104.82 134.69 12.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 48.4 m-85 -146.04 172.69 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -121.8 -28.73 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -120.85 153.25 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -62.01 -51.84 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -42.17 -52.57 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -61.33 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.8 t -40.3 -38.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.33 -46.22 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -47.64 -48.66 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.3 -50.36 68.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -38.74 -59.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -39.84 -48.0 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 t -40.93 -49.92 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 31.5 m-70 -45.7 107.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.5 t -57.43 141.11 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.06 40.11 2.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -86.02 161.03 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.27 133.51 10.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.529 0.681 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.58 68.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -81.11 -37.66 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.58 -99.29 2.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 134.53 28.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 p -98.2 123.82 42.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t -93.55 144.34 25.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.549 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -169.85 175.83 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -135.09 162.47 32.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.32 114.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 59.36 42.54 17.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -64.42 -45.83 85.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.93 155.17 38.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -153.04 163.31 40.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.87 172.83 19.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -109.62 154.78 22.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.955 0.407 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 23.8 mttp -153.41 161.99 27.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.582 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 -18.78 36.84 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 56.6 m-85 -161.79 118.39 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 162.61 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.69 150.68 48.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -92.96 -24.4 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 48.5 mm-40 -71.57 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.69 -51.32 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.89 7.27 2.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -37.3 141.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -89.58 146.53 18.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 73.2 m-85 -151.38 -178.19 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -128.68 -32.44 2.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -115.92 131.03 57.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -44.41 -54.2 6.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -45.12 -47.48 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.44 -55.09 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.6 t -45.43 -47.65 13.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -67.05 -45.0 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -45.29 -44.89 11.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' GLN . 4.7 t60 -71.02 -49.03 49.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 13.4 tt0 -37.03 -51.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -38.57 -48.45 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 t -40.21 -48.71 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.0 m-70 -59.9 147.95 36.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 m -88.94 150.59 22.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.21 -178.58 16.0 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -152.25 137.24 17.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.944 0.402 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -125.88 154.75 73.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.522 0.677 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 1.24 4.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.4 m -41.12 -60.78 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.11 168.75 40.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.7 3.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.8 p -80.09 50.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.818 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -121.69 83.74 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -139.55 155.98 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 t -62.66 154.18 30.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.56 170.77 35.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -150.91 166.48 30.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -106.59 83.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.32 102.18 1.02 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.473 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -71.28 91.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.935 0.398 . . . . 0.0 110.893 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.73 -173.24 16.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.88 -178.9 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 10.9 mttm -132.99 156.2 80.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.596 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -11.26 30.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 70.5 m-85 -157.68 109.93 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 145.96 50.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -51.05 144.14 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 pt-20 -89.76 -20.71 23.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -71.6 -55.28 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -110.76 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.94 2.75 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HD3' ' CG ' ' A' ' 31' ' ' HIS . 35.2 tttp -36.53 140.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.487 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -91.39 147.52 18.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 62.0 m-85 -148.9 163.32 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -112.74 12.71 19.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -170.07 160.76 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.175 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -43.52 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -55.43 -43.16 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 24' ' ' THR . 3.8 mm100 -67.35 -38.08 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 4.5 t -63.9 -37.44 87.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.89 -46.04 32.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -42.77 -48.09 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CG ' ' HD3' ' A' ' 20' ' ' LYS . 4.8 t60 -74.9 -50.37 17.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -41.64 -29.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -49.76 -43.65 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 t -51.9 -48.73 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.6 m-70 -61.08 132.54 54.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.2 m -157.4 143.66 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.86 135.75 5.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.67 37.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 146.69 32.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 91.02 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.258 . . . . 0.0 112.3 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 p -97.36 -41.77 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.53 -168.78 53.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 98.83 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.38 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 m -61.12 -59.36 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.8 t -118.6 146.72 44.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.445 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -149.54 114.32 5.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -108.31 155.09 20.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.38 40.01 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -62.0 94.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -122.0 81.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.33 -88.91 0.9 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 m -54.12 101.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.82 111.85 3.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -129.7 147.04 51.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.481 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 33.7 mttt -121.21 160.12 46.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.533 0.682 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -18.91 36.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.9 m-85 -152.36 111.28 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -128.11 153.62 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -64.37 149.33 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -92.19 -21.7 20.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 56.2 mm-40 -74.47 -61.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.15 -51.87 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.48 22.81 1.61 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tptt -47.48 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.481 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -121.32 136.89 11.43 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.482 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 38.6 m-85 -150.89 168.76 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -116.02 -31.95 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.971 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -113.47 136.37 52.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -46.38 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.6 p -48.59 -40.93 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -70.5 -45.51 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.2 t -54.3 -45.26 72.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.21 -47.54 70.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -43.57 -51.7 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -70.74 -45.31 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.0 -42.7 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -52.68 -42.85 65.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.1 m -45.64 -49.14 14.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 58.2 m-70 -52.5 106.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 t -111.12 38.12 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.96 134.76 52.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -109.22 82.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -95.68 149.05 35.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.91 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 135.93 31.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.4 m -83.27 78.96 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.48 72.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.75 3.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.1 p 51.53 52.89 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 m -82.23 -175.03 5.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.505 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t -135.28 125.43 26.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -88.86 103.15 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -80.08 -37.21 22.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 59.6 p -34.96 137.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.864 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -123.3 178.71 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.19 151.92 2.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -94.93 -59.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.51 170.88 35.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -70.49 168.58 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 30.9 mttp -146.83 158.08 46.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.73 -18.39 37.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 12' ' ' PRO . 59.7 m-85 -158.48 124.54 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -133.69 163.6 29.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -75.92 153.29 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.15 -26.67 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 32.0 mp0 -70.71 -63.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -100.97 -53.15 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.08 26.41 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 5.8 ttpt -51.86 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.475 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -117.74 137.78 13.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.466 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -145.58 146.26 31.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -95.85 -27.17 15.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -122.76 140.64 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.6 t30 -49.19 -61.53 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 m -35.07 -56.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -54.25 -57.49 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.55 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 32.9 t -41.82 -44.0 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.2 -51.59 20.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -41.32 -28.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -90.73 -45.84 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -46.04 -38.57 8.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -66.03 -36.37 83.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -50.76 -39.79 53.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.2 m-70 -54.88 144.26 23.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.3 p -107.13 78.01 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.33 -106.2 3.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -149.61 160.4 43.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -115.37 134.68 22.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.51 3.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -47.93 164.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.64 144.81 4.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 109.91 2.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.8 t -43.48 -59.43 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.3 p -136.8 117.75 14.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.531 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.8 p -112.56 91.66 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.823 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -106.73 168.78 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.17 128.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 m -126.44 85.53 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -128.71 105.77 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.47 49.5 26.32 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.9 t -70.51 86.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 40.89 73.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 5.4 tp10 -94.56 150.22 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD3' ' CA ' ' A' ' 21' ' ' GLY . 14.5 mttt -137.91 155.9 74.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -13.76 35.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 81.6 m-85 -157.58 110.48 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -130.26 152.31 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -64.24 147.96 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -90.87 -19.97 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 5.1 mm-40 -76.27 -62.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -101.4 -51.85 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 21.15 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.604 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.2 tptp -44.43 167.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.492 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . -117.35 128.32 7.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 33.5 m-85 -141.48 158.47 43.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.27 -31.88 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 p -109.41 144.41 37.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -60.42 -50.85 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -43.71 -49.24 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -61.3 -50.78 71.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 40.4 t -48.71 -43.77 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.1 -46.8 73.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -47.15 -57.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 12.6 t60 -56.3 -52.66 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 16.6 tt0 -36.92 -53.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -42.84 -45.38 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -40.45 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 89.4 m-70 -57.66 136.58 56.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 m -120.93 95.38 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.8 161.91 37.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -96.71 145.72 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.398 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -143.42 154.06 59.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 168.52 21.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.305 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -105.39 -58.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.65 146.01 7.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.77 -6.46 18.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.8 m -51.56 89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' PRO . 58.0 m -164.17 122.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.469 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -54.59 -52.79 61.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m 53.73 42.21 31.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.95 41.61 96.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -67.09 90.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -82.73 158.45 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.24 151.55 5.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -77.17 127.73 33.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.46 -50.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -54.6 143.15 25.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 46.0 mttt -134.3 159.42 72.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -14.86 36.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 73.6 m-85 -155.19 111.01 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 160.87 35.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.68 151.01 43.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -24.62 18.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 61.9 mm-40 -71.32 -60.29 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.92 -51.73 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.81 7.05 2.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -36.35 141.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.96 146.2 18.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.433 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 53.7 m-85 -151.31 179.65 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -127.29 -31.71 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -122.66 134.76 54.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -41.11 -50.21 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -47.54 -50.14 24.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -58.95 -46.99 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 20.0 t -57.26 -42.2 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.26 -49.84 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . 6.9 t -42.65 -37.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -83.77 -45.49 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -46.05 -52.04 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 7.7 ptp85 -54.67 -31.64 58.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 t -56.27 -48.05 77.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 24.6 m-70 -42.43 100.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.7 m -155.55 173.97 15.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.44 -49.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -95.09 144.97 25.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -67.12 142.09 96.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -4.4 13.93 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.8 m -86.92 -61.68 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.54 153.98 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.65 5.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -102.48 42.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -114.18 42.16 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.48 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -167.27 154.97 9.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -115.16 94.09 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.19 106.05 1.65 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -86.47 -47.12 9.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -64.2 147.99 51.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.01 -173.33 23.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -104.67 153.97 20.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.51 43.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -100.39 143.35 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 43.4 mttt -144.94 160.34 46.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.528 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.8 -17.65 37.27 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.294 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 51.0 m-85 -153.31 111.9 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -130.28 162.48 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.1 149.09 43.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -90.92 -23.06 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.2 mm-40 -73.31 -63.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 p -100.68 -52.36 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 18.2 1.78 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 6.7 tptp -43.63 162.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.79 138.86 15.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 34.5 m-85 -149.92 171.52 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.02 -33.47 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.5 p -114.0 139.2 49.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -49.15 -55.26 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -41.09 -50.16 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -58.68 -50.67 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 7.3 t -51.56 -48.02 63.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -47.69 -50.14 25.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -75.6 -48.45 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -40.73 -43.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 34' ' ' SER . 37.5 mtm180 -53.73 -46.7 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' SER . 31.2 t -37.07 -51.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -54.48 86.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' SER . 27.4 m -117.22 -56.26 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.3 136.43 12.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.85 146.32 49.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.96 0.409 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -124.6 142.09 39.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.563 0.697 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 140.61 42.95 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.1 m -101.58 142.17 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.81 -157.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -18.34 37.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.751 2.301 . . . . 0.0 112.334 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -166.64 134.89 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.5 p -119.5 112.59 19.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.554 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 1' ' ' GLY . 34.7 t -34.5 142.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -88.19 -48.79 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.32 59.36 1.54 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -132.24 -46.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.0 110.859 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -91.64 93.23 8.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.97 103.37 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -130.82 155.5 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.71 102.85 0.54 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -74.63 168.93 18.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.393 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 69.5 mttt -148.65 161.16 34.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.71 -14.86 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 65.0 m-85 -157.32 110.77 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.55 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -67.98 149.52 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -91.7 -23.43 19.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.0 mp0 -72.72 -61.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 p -103.77 -52.4 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.05 22.54 1.54 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 23.1 tttp -50.33 159.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.29 141.16 15.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 59.8 m-85 -148.54 177.39 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.62 -30.15 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.4 p -123.4 133.74 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -40.44 -45.18 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -51.34 -53.38 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.91 -48.45 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 22.0 t -53.3 -46.09 69.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' HIS . 51.9 t80 -66.64 -55.21 16.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -38.11 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' TYR . 14.5 t60 -92.91 -46.6 7.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -49.5 -50.01 43.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -45.73 -34.5 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.2 t -58.84 -48.54 80.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 41.2 m-70 -49.59 132.95 21.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 99.2 p -172.78 113.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.83 48.63 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -118.1 111.21 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.23 119.48 64.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -27.07 27.03 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 t -137.82 168.42 19.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.27 82.9 1.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.01 3.91 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -81.0 109.75 15.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.8 p -94.16 171.94 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.481 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -172.4 112.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -121.87 91.25 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.826 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.81 132.06 11.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 p -83.16 160.4 21.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -95.19 -51.95 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.79 70.4 0.85 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -159.68 128.65 5.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.936 0.398 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.33 -90.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -157.51 -179.45 8.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 48.6 mttt -120.82 160.53 44.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.521 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.82 -14.26 35.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 82.9 m-85 -157.77 111.88 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.96 158.13 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.05 146.7 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -90.18 -21.08 22.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 7.1 mm-40 -74.26 -60.75 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.26 -51.34 3.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 133.51 5.23 2.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -35.12 143.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.79 0.328 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -93.26 140.48 15.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 63.3 m-85 -146.76 176.51 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -123.99 -29.44 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.7 p -117.16 135.77 53.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -49.68 -42.06 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 t -50.74 -58.6 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -50.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 9.7 t -48.34 -43.35 33.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -73.52 -41.43 63.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 t -51.93 -54.85 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -56.34 -46.84 79.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -41.37 -42.4 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -40.78 -45.95 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -44.93 -50.21 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 98.1 m-70 -63.92 -44.67 92.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -50.8 107.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.74 -49.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -48.98 128.07 15.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.916 0.388 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -59.62 137.99 89.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.549 0.69 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -28.68 25.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 m -148.42 126.89 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.74 121.71 7.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -28.53 25.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.7 p -65.73 140.88 58.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' GLY . 16.1 m -111.35 138.68 47.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -159.1 155.68 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -75.51 174.97 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.11 -42.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -118.83 161.47 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -73.38 179.76 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.22 -142.27 15.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -56.02 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.49 44.27 0.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -161.8 162.23 29.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 53.3 mttt -153.05 161.94 27.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -13.41 34.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 78.2 m-85 -161.55 114.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.17 164.49 27.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.33 151.61 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -25.79 17.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.5 mm-40 -70.62 -61.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.45 -51.54 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.39 10.04 2.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -37.91 141.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.68 143.98 17.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 60.1 m-85 -149.24 179.98 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -129.6 -33.16 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.1 p -118.18 127.77 54.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -38.81 -45.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -47.72 -53.07 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.72 -49.6 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.8 t -50.55 -45.61 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.08 -53.79 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -39.6 -50.26 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -72.72 -45.97 55.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -48.86 -44.83 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.85 -24.57 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 t -60.18 -46.24 90.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 22.1 m-70 -39.51 -54.46 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.4 t -73.94 100.65 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.12 -78.4 0.15 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.44 175.72 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.64 147.0 19.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 153.9 68.17 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -94.99 40.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.53 -157.75 0.57 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 124.5 11.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -161.46 147.39 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 t -46.59 117.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.473 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -124.08 109.93 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -123.98 127.9 48.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -74.25 142.29 30.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.2 m -35.56 151.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 m -65.68 177.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.54 -162.74 34.9 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -89.01 130.74 35.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.15 41.13 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 2.6 tp10 -102.26 150.64 23.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 21.6 mttp -143.99 159.97 51.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.531 0.682 . . . . 0.0 110.971 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -25.0 29.21 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 60.7 m-85 -145.35 113.14 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -131.0 159.21 38.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.45 153.22 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.11 -26.69 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 11.7 mm-40 -70.43 -62.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.66 -53.22 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.62 19.57 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.77 158.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.76 137.73 13.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 60.2 m-85 -148.71 176.17 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -125.64 -30.13 3.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.947 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.3 p -119.05 134.66 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -46.18 -51.92 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -44.19 -50.3 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.11 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.2 t -55.03 -41.82 71.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -70.15 -48.36 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -44.37 -36.16 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -86.03 -46.18 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -43.52 -42.04 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -63.18 -34.61 78.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 p -48.6 -41.73 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.821 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.1 m-70 -57.21 127.16 30.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.9 p -84.16 46.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.89 -60.05 1.09 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.61 117.53 7.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -111.19 147.56 36.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.51 0.671 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.24 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.68 2.254 . . . . 0.0 112.362 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.0 p -51.44 156.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.93 -75.32 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 168.96 20.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -53.78 155.3 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.6 t -53.62 -55.56 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 p -51.39 166.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -117.02 107.35 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.39 55.95 0.7 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -159.96 166.15 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -71.27 -42.88 68.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.6 -87.32 1.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 t 58.27 44.69 18.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.81 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.89 132.52 11.15 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -47.99 146.94 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.957 0.408 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 48.7 mttt -138.71 157.85 71.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.422 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.74 -19.55 36.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 45.3 m-85 -146.3 108.72 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -131.78 162.63 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -69.28 149.17 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -91.28 -22.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 68.8 mm-40 -74.11 -63.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -101.23 -52.4 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.49 20.95 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.02 160.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.7 139.22 14.53 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 64.7 m-85 -150.47 173.83 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -122.09 -28.87 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -120.69 146.79 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.7 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -48.57 -41.5 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -70.6 -55.73 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 6.5 t -43.35 -37.24 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.34 -48.65 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 p -42.32 -37.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -87.64 -51.84 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -40.62 -50.15 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 34' ' ' SER . 28.1 ptt180 -46.57 -45.68 18.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 33' ' ' ARG . 36.6 t -41.32 -54.11 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.489 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 77.0 m-70 -46.77 137.17 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 m -143.48 147.08 33.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.11 -126.04 10.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -116.72 145.58 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -45.87 149.5 1.16 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 169.49 18.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 p -85.94 49.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.02 124.17 5.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -32.06 19.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.242 . . . . 0.0 112.375 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 p -146.24 144.31 29.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 m -97.48 -55.84 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.491 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 p -90.27 174.53 7.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -73.12 105.41 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.56 -88.1 0.46 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -74.36 135.41 42.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -44.86 -54.68 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.41 70.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.9 p -174.31 176.04 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.44 41.02 98.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -76.76 164.55 25.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.383 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 67.4 mttt -138.74 159.43 67.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -20.31 34.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 59.9 m-85 -149.94 113.3 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -131.98 163.2 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -71.78 149.78 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.44 -23.42 20.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.524 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 66.8 mm-40 -73.0 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.47 -52.8 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.16 21.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 2.4 tptp -46.43 164.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.414 ' HA3' ' NZ ' ' A' ' 11' ' ' LYS . . . -110.85 136.65 13.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 40.3 m-85 -146.88 174.52 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.87 -34.85 3.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.0 p -112.77 133.1 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -42.1 -59.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.5 m -39.9 -54.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.29 -44.03 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.2 t -59.1 -39.87 83.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 38.2 t80 -69.92 -55.76 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' TYR . 23.8 p -37.28 -37.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.38 -44.94 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -49.03 -36.6 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -64.92 -44.08 90.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 t -43.61 -53.7 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.6 m-70 -40.93 110.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.6 m -118.16 107.48 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.58 139.46 14.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.77 94.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -91.28 128.93 45.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -44.44 2.11 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 m -127.25 97.25 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.03 173.22 22.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 168.51 21.44 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -101.93 -44.04 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -91.4 -56.15 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.473 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -84.32 -38.13 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -90.65 130.69 36.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.19 90.6 0.21 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 55.11 42.37 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -102.57 41.83 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.72 147.66 4.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.2 t -87.77 149.66 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.07 -163.9 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -110.53 -176.68 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 37.5 mttt -129.29 161.94 55.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.73 -22.61 32.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 67.7 m-85 -149.96 112.57 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 155.65 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -63.74 145.88 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.49 -18.61 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 25.9 mp0 -77.38 -62.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -100.94 -51.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.96 14.03 2.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 7.3 tptt -40.6 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.317 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.517 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.09 137.31 13.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.538 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 44.3 m-85 -150.26 166.71 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -117.15 -31.86 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 p -112.67 126.18 55.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 18.2 t-20 -40.97 -57.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ASN . 29.2 m -37.56 -55.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.23 -55.05 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 t -46.13 -42.72 14.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -68.88 -48.03 64.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -46.9 -42.42 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.97 -50.82 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -38.97 -56.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.0 mtm105 -39.39 -47.13 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -40.44 -49.59 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.464 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.7 m-70 -51.41 145.01 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 m -113.35 146.31 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.25 -42.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.99 48.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 10.2 tppt? -116.32 109.22 44.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.74 120.48 7.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -77.52 131.7 38.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.04 165.56 17.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -39.64 6.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.8 p -153.54 145.94 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 p -89.29 147.66 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.542 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -132.31 146.06 51.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -55.32 -42.82 74.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.99 -93.08 0.78 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p -116.23 170.8 8.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.83 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -81.99 47.94 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.23 -154.79 20.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -84.66 -43.55 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.08 -109.18 0.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.431 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -170.46 -179.93 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 15.9 mttp -122.48 162.36 38.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.586 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -16.94 37.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.2 m-85 -160.58 117.07 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -134.23 152.8 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -57.28 146.88 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -92.46 -23.91 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.581 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 59.8 mm-40 -68.52 -55.52 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.96 -50.81 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.02 -1.39 3.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 6.7 tptp -32.55 146.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.31 153.9 20.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 37.1 m-85 -157.92 150.47 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -93.3 -31.6 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 143.64 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -58.78 -34.26 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -57.4 -47.27 82.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.65 -49.23 71.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 35.8 t -47.11 -41.43 17.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.46 -44.58 67.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -45.8 -41.8 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -83.85 -50.32 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -42.16 -52.19 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 34' ' ' SER . 10.5 ptt180 -54.35 -37.14 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' HIS . 7.8 t -50.5 -52.34 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 22.4 m-70 -36.12 -64.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 p -74.43 152.9 39.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.29 -94.05 0.67 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 3.1 pm0 -99.73 136.91 38.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' A' ' 38' ' ' GLU . 2.3 mppt? -138.87 139.77 24.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -76.34 125.86 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.5 164.12 12.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 104.96 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.236 . . . . 0.0 112.31 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 m -81.01 44.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 t -67.36 -42.27 83.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.468 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.4 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.543 0.687 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.552 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.78 -13.33 34.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 70.6 m-85 -158.26 114.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -133.31 159.2 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.1 t -66.57 148.84 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 -20.45 20.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -75.68 -61.26 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.3 -50.6 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.15 18.04 2.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 27.0 tttm -47.16 165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.07 142.4 16.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.426 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 45.7 m-85 -147.88 168.76 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -116.65 -30.21 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -121.85 135.08 54.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -44.38 -57.89 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -41.31 -48.96 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.88 -56.96 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.7 t -41.53 -51.09 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -59.69 -53.5 57.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' TYR . 9.8 t -35.86 -54.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.432 ' ND1' ' HD3' ' A' ' 20' ' ' LYS . 2.9 t60 -66.36 -47.34 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 23.1 mttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.6 0.714 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.84 -20.01 35.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.6 m-85 -149.41 112.98 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -131.52 162.31 30.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.05 153.43 40.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -93.09 -26.98 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -70.33 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.5 p -102.06 -53.16 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.51 25.48 1.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -50.57 161.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -106.47 137.73 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 51.2 m-85 -148.54 178.03 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -125.67 -32.96 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 p -114.91 140.01 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -50.18 -53.15 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -42.71 -46.02 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -64.43 -52.58 57.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 t -52.47 -44.35 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -54.6 23.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -40.51 -47.3 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -68.66 -53.12 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 26.6 mttt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.565 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.74 -13.66 35.05 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 62.2 m-85 -156.71 105.59 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -125.86 159.65 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -70.0 149.06 48.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -91.34 -22.36 20.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -73.74 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.8 p -101.56 -52.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.74 14.63 2.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -41.98 161.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.21 144.88 17.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 61.7 m-85 -154.34 178.12 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -126.11 -27.02 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -123.6 136.88 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -46.38 -55.59 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -37.08 -60.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -54.92 -57.23 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 46.6 t -44.33 -46.38 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.84 -48.09 69.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 t -45.08 -40.05 6.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -74.8 -48.07 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.0 mttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 75.1 m-85 -151.32 114.44 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -134.21 158.81 42.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.66 148.8 37.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -92.85 -23.31 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -71.81 -57.82 4.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -109.03 -50.23 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.99 5.31 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptt -33.41 141.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -90.85 144.69 17.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 48.2 m-85 -149.77 179.34 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -127.61 -28.89 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.4 p -125.13 127.79 47.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -43.48 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -48.72 -55.06 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -56.82 -58.02 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 34.0 t -41.23 -39.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -46.86 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 t -46.48 -42.14 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -82.29 -45.7 14.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.929 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 51.6 mttt . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.82 -23.06 30.95 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 72.1 m-85 -150.72 116.11 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -134.03 162.15 32.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -67.87 151.44 47.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -92.37 -24.38 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 -72.42 -62.36 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.04 -53.01 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.29 20.52 1.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -44.27 164.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.45 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -104.82 134.69 12.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 48.4 m-85 -146.04 172.69 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -121.8 -28.73 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -120.85 153.25 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -62.01 -51.84 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -42.17 -52.57 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -61.33 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.8 t -40.3 -38.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.33 -46.22 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -47.64 -48.66 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.3 -50.36 68.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 23.8 mttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.582 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 -18.78 36.84 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 56.6 m-85 -161.79 118.39 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 162.61 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.69 150.68 48.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -92.96 -24.4 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -71.57 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.69 -51.32 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.89 7.27 2.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -37.3 141.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.477 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -89.58 146.53 18.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 73.2 m-85 -151.38 -178.19 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -128.68 -32.44 2.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -115.92 131.03 57.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -44.41 -54.2 6.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -45.12 -47.48 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.44 -55.09 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.6 t -45.43 -47.65 13.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -67.05 -45.0 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -45.29 -44.89 11.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' GLN . 4.7 t60 -71.02 -49.03 49.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 13.4 tt0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 10.9 mttm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.569 0.7 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.596 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -11.26 30.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 70.5 m-85 -157.68 109.93 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 145.96 50.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -51.05 144.14 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 pt-20 -89.76 -20.71 23.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' OE1' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -71.6 -55.28 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -110.76 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.94 2.75 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HD3' ' CG ' ' A' ' 31' ' ' HIS . 35.2 tttp -36.53 140.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.487 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -91.39 147.52 18.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 62.0 m-85 -148.9 163.32 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -112.74 12.71 19.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -170.07 160.76 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.175 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -43.52 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -55.43 -43.16 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 24' ' ' THR . 3.8 mm100 -67.35 -38.08 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 4.5 t -63.9 -37.44 87.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.89 -46.04 32.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -42.77 -48.09 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CG ' ' HD3' ' A' ' 20' ' ' LYS . 4.8 t60 -74.9 -50.37 17.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.481 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 33.7 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.533 0.682 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -18.91 36.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.9 m-85 -152.36 111.28 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -128.11 153.62 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -64.37 149.33 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.508 ' H ' ' NE2' ' A' ' 32' ' ' GLN . 3.2 pt-20 -92.19 -21.7 20.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -74.47 -61.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.15 -51.87 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.48 22.81 1.61 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tptt -47.48 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.481 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -121.32 136.89 11.43 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.482 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 38.6 m-85 -150.89 168.76 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -116.02 -31.95 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.971 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -113.47 136.37 52.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -46.38 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.6 p -48.59 -40.93 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -70.5 -45.51 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.2 t -54.3 -45.26 72.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.21 -47.54 70.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -43.57 -51.7 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -70.74 -45.31 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.508 ' NE2' ' H ' ' A' ' 16' ' ' GLU . 7.3 mm-40 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 30.9 mttp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.73 -18.39 37.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 12' ' ' PRO . 59.7 m-85 -158.48 124.54 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -133.69 163.6 29.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -75.92 153.29 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.15 -26.67 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -70.71 -63.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -100.97 -53.15 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.08 26.41 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 5.8 ttpt -51.86 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.475 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -117.74 137.78 13.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.466 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -145.58 146.26 31.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -95.85 -27.17 15.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -122.76 140.64 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.6 t30 -49.19 -61.53 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 m -35.07 -56.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -54.25 -57.49 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.55 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 32.9 t -41.82 -44.0 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.2 -51.59 20.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -41.32 -28.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -90.73 -45.84 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.923 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD3' ' CA ' ' A' ' 21' ' ' GLY . 14.5 mttt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -13.76 35.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 81.6 m-85 -157.58 110.48 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -130.26 152.31 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -64.24 147.96 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -90.87 -19.97 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.27 -62.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -101.4 -51.85 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 21.15 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.604 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.2 tptp -44.43 167.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.492 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . -117.35 128.32 7.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 33.5 m-85 -141.48 158.47 43.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.27 -31.88 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 p -109.41 144.41 37.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -60.42 -50.85 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -43.71 -49.24 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -50.78 71.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 40.4 t -48.71 -43.77 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.1 -46.8 73.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -47.15 -57.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 12.6 t60 -56.3 -52.66 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 16.6 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 46.0 mttt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.488 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -14.86 36.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 73.6 m-85 -155.19 111.01 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 160.87 35.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.68 151.01 43.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -24.62 18.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -71.32 -60.29 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.92 -51.73 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.81 7.05 2.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -36.35 141.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.96 146.2 18.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.433 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 53.7 m-85 -151.31 179.65 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -127.29 -31.71 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -122.66 134.76 54.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -41.11 -50.21 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -47.54 -50.14 24.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -58.95 -46.99 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 20.0 t -57.26 -42.2 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.26 -49.84 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.9 t -42.65 -37.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -83.77 -45.49 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 43.4 mttt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.528 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.8 -17.65 37.27 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.294 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 51.0 m-85 -153.31 111.9 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -130.28 162.48 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.1 149.09 43.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -90.92 -23.06 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.31 -63.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 p -100.68 -52.36 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 18.2 1.78 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 6.7 tptp -43.63 162.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.79 138.86 15.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 34.5 m-85 -149.92 171.52 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.02 -33.47 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.5 p -114.0 139.2 49.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -49.15 -55.26 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -41.09 -50.16 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -58.68 -50.67 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 7.3 t -51.56 -48.02 63.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -47.69 -50.14 25.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -75.6 -48.45 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 69.5 mttt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.554 0.692 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.56 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.71 -14.86 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 65.0 m-85 -157.32 110.77 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.55 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -67.98 149.52 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -91.7 -23.43 19.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -72.72 -61.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 p -103.77 -52.4 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.05 22.54 1.54 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 23.1 tttp -50.33 159.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.29 141.16 15.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 59.8 m-85 -148.54 177.39 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.62 -30.15 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.4 p -123.4 133.74 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -40.44 -45.18 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -51.34 -53.38 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.91 -48.45 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 22.0 t -53.3 -46.09 69.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' HIS . 51.9 t80 -66.64 -55.21 16.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -38.11 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' TYR . 14.5 t60 -92.91 -46.6 7.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.869 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 48.6 mttt . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.521 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.82 -14.26 35.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 82.9 m-85 -157.77 111.88 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.96 158.13 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.05 146.7 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -90.18 -21.08 22.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.26 -60.75 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.26 -51.34 3.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 133.51 5.23 2.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -35.12 143.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.79 0.328 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.415 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -93.26 140.48 15.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 63.3 m-85 -146.76 176.51 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -123.99 -29.44 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.7 p -117.16 135.77 53.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -49.68 -42.06 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 t -50.74 -58.6 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -50.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 9.7 t -48.34 -43.35 33.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -73.52 -41.43 63.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 t -51.93 -54.85 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -56.34 -46.84 79.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 53.3 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -13.41 34.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 78.2 m-85 -161.55 114.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.17 164.49 27.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.33 151.61 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -25.79 17.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -70.62 -61.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.45 -51.54 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.39 10.04 2.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -37.91 141.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.68 143.98 17.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 60.1 m-85 -149.24 179.98 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -129.6 -33.16 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.1 p -118.18 127.77 54.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -38.81 -45.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -47.72 -53.07 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.72 -49.6 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.8 t -50.55 -45.61 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.08 -53.79 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -39.6 -50.26 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -72.72 -45.97 55.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 21.6 mttp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 121.531 0.682 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -25.0 29.21 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 60.7 m-85 -145.35 113.14 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -131.0 159.21 38.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.45 153.22 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.11 -26.69 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -70.43 -62.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.66 -53.22 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.62 19.57 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.77 158.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.76 137.73 13.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 60.2 m-85 -148.71 176.17 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -125.64 -30.13 3.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.947 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.3 p -119.05 134.66 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -46.18 -51.92 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -44.19 -50.3 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.11 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.2 t -55.03 -41.82 71.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -70.15 -48.36 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -44.37 -36.16 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -86.03 -46.18 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 48.7 mttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.422 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.74 -19.55 36.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 45.3 m-85 -146.3 108.72 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -131.78 162.63 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -69.28 149.17 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -91.28 -22.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.11 -63.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -101.23 -52.4 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.49 20.95 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.02 160.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.7 139.22 14.53 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 64.7 m-85 -150.47 173.83 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -122.09 -28.87 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -120.69 146.79 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.7 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -48.57 -41.5 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -70.6 -55.73 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 6.5 t -43.35 -37.24 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.34 -48.65 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 p -42.32 -37.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -87.64 -51.84 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 67.4 mttt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -20.31 34.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 59.9 m-85 -149.94 113.3 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -131.98 163.2 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -71.78 149.78 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.44 -23.42 20.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -73.0 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.47 -52.8 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.16 21.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 2.4 tptp -46.43 164.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.414 ' HA3' ' NZ ' ' A' ' 11' ' ' LYS . . . -110.85 136.65 13.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 40.3 m-85 -146.88 174.52 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.87 -34.85 3.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.0 p -112.77 133.1 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -42.1 -59.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.5 m -39.9 -54.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.29 -44.03 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.2 t -59.1 -39.87 83.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 38.2 t80 -69.92 -55.76 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' TYR . 23.8 p -37.28 -37.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.38 -44.94 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 37.5 mttt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.574 0.702 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.73 -22.61 32.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 67.7 m-85 -149.96 112.57 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 155.65 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -63.74 145.88 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.49 -18.61 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -77.38 -62.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -100.94 -51.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.96 14.03 2.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 7.3 tptt -40.6 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.317 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.517 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.09 137.31 13.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.538 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 44.3 m-85 -150.26 166.71 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -117.15 -31.86 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 p -112.67 126.18 55.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 18.2 t-20 -40.97 -57.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ASN . 29.2 m -37.56 -55.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.23 -55.05 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 t -46.13 -42.72 14.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -68.88 -48.03 64.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -46.9 -42.42 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.97 -50.82 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.865 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 15.9 mttp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.562 0.696 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.586 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -16.94 37.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.2 m-85 -160.58 117.07 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -134.23 152.8 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -57.28 146.88 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -92.46 -23.91 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -68.52 -55.52 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.96 -50.81 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.02 -1.39 3.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 6.7 tptp -32.55 146.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.31 153.9 20.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 37.1 m-85 -157.92 150.47 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -93.3 -31.6 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 143.64 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -58.78 -34.26 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -57.4 -47.27 82.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.65 -49.23 71.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 35.8 t -47.11 -41.43 17.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.46 -44.58 67.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -45.8 -41.8 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -83.85 -50.32 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -150.02 167.65 26.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.867 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -156.04 166.07 34.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 -52.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.444 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -81.26 48.55 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -160.41 153.95 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.825 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.61 -67.88 0.78 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.453 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.2 t -46.66 107.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.81 -81.42 0.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 6.6 tp10 -129.85 153.06 48.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.923 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 66.4 mttt -139.06 158.94 68.66 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.552 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.78 -13.33 34.48 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.376 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 70.6 m-85 -158.26 114.62 2.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -133.31 159.2 40.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.1 t -66.57 148.84 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -92.61 -20.45 20.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 7.1 mm-40 -75.68 -61.26 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -102.3 -50.6 3.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.15 18.04 2.38 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 27.0 tttm -47.16 165.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -109.07 142.4 16.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.426 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 45.7 m-85 -147.88 168.76 21.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -116.65 -30.21 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -121.85 135.08 54.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.15 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -44.38 -57.89 3.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.1 t -41.31 -48.96 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.88 -56.96 15.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.7 t -41.53 -51.09 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.6 OUTLIER -59.69 -53.5 57.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' TYR . 9.8 t -35.86 -54.86 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.842 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.432 ' ND1' ' HD3' ' A' ' 20' ' ' LYS . 2.9 t60 -66.36 -47.34 73.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -42.47 -36.01 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -48.87 -51.3 30.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.2 p -39.04 -35.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 99.4 m-70 -79.56 47.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.0 p -162.84 124.65 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -139.06 -52.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.68 72.39 5.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -156.47 141.88 12.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.597 0.713 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 151.7 69.56 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.699 2.266 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 99.5 p -117.03 112.23 20.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.53 -92.27 2.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -7.4 20.94 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.8 p -160.06 142.6 13.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 88.3 p -135.54 136.94 41.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.46 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -59.33 97.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -97.26 42.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.81 59.46 3.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.471 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.6 p -91.18 83.9 5.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 110.824 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -83.28 -44.12 15.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.75 134.0 2.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.3 p -96.03 162.47 13.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.924 0.392 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.63 79.41 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -61.13 145.95 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 23.1 mttp -122.17 158.2 56.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.84 -20.01 35.03 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.676 2.251 . . . . 0.0 112.308 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.6 m-85 -149.41 112.98 5.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt -131.52 162.31 30.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.05 153.43 40.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -93.09 -26.98 17.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 10.5 mm-40 -70.33 -62.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.5 p -102.06 -53.16 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.51 25.48 1.59 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -50.57 161.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -106.47 137.73 14.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.499 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 51.2 m-85 -148.54 178.03 8.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -125.67 -32.96 2.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.979 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.6 p -114.91 140.01 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.178 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -50.18 -53.15 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -42.71 -46.02 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -64.43 -52.58 57.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 18.8 t -52.47 -44.35 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.12 -54.6 23.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 69.9 m -40.51 -47.3 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -68.66 -53.12 24.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -38.11 -50.52 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.2 mtm-85 -46.35 -45.57 17.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.4 t -42.72 -48.77 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.496 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 69.8 m-70 -55.7 95.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 86.8 p -134.2 178.18 7.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.61 126.53 2.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -133.23 125.14 28.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -90.58 142.87 28.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 89.0 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.75 2.3 . . . . 0.0 112.325 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.2 p 45.92 42.01 8.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.17 83.89 0.28 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.46 16.51 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -118.73 84.27 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -148.14 157.88 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.485 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -132.47 151.77 51.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.925 0.393 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 p -69.24 -51.86 33.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.21 43.44 0.47 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -116.83 102.05 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.381 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 7' ' ' GLY . 69.1 m -111.28 81.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.32 41.45 0.22 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.457 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -54.67 -57.04 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.919 0.39 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 69.05 126.82 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -95.29 149.05 21.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.947 0.403 . . . . 0.0 110.871 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 26.6 mttt -141.38 161.17 54.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.625 0.726 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.565 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.74 -13.66 35.05 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.671 2.248 . . . . 0.0 112.367 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.565 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 62.2 m-85 -156.71 105.59 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -125.86 159.65 31.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -70.0 149.06 48.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -91.34 -22.36 20.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' CD ' ' CG ' ' A' ' 35' ' ' HIS . 35.5 mt-10 -73.74 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.8 p -101.56 -52.35 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.74 14.63 2.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -41.98 161.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.21 144.88 17.06 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.476 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 61.7 m-85 -154.34 178.12 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -126.11 -27.02 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.5 p -123.6 136.88 54.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 -46.38 -55.59 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -37.08 -60.21 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -54.92 -57.23 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 46.6 t -44.33 -46.38 9.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.84 -48.09 69.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 t -45.08 -40.05 6.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -74.8 -48.07 27.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -43.15 -42.34 4.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -57.27 -49.13 77.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 t -39.3 -53.54 1.93 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CG ' ' CD ' ' A' ' 17' ' ' GLU . 40.5 m-70 -40.81 105.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 t -82.5 83.27 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.91 111.92 0.93 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 1.9 pp20? -86.62 43.32 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.939 0.4 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -150.12 153.33 35.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.5 Cg_endo -69.74 115.91 4.31 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' PRO . 3.1 m -35.99 -52.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.1 -151.69 16.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.491 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 110.26 2.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.683 2.256 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -123.89 90.1 3.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 m -48.6 106.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.466 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -56.95 171.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -119.6 135.76 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.97 114.45 1.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 6' ' ' SER . 4.3 m -93.01 115.51 28.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 5' ' ' SER . 36.7 t -37.62 -53.02 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.8 128.05 2.99 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.2 m -54.87 -51.89 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.886 0.375 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.82 -51.76 0.53 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 14.1 tt0 -175.02 145.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' N ' ' HG2' ' A' ' 10' ' ' GLU . 47.0 mttt -132.0 161.54 62.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.428 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -20.95 34.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.428 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 75.1 m-85 -151.32 114.44 4.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -134.21 158.81 42.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -60.66 148.8 37.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -92.85 -23.31 18.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.8 mm-40 -71.81 -57.82 4.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 p -109.03 -50.23 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.99 5.31 2.45 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.3 tptt -33.41 141.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.435 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -90.85 144.69 17.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.486 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 48.2 m-85 -149.77 179.34 8.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 110.931 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -127.61 -28.89 2.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.4 p -125.13 127.79 47.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -40.98 -43.48 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -48.72 -55.06 12.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -56.82 -58.02 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.553 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 34.0 t -41.23 -39.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -68.95 -46.86 67.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.1 t -46.48 -42.14 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.6 t60 -82.29 -45.7 14.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -48.96 -42.83 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -66.39 -23.02 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 t -63.2 -44.1 96.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 48.4 m-70 -46.75 -61.4 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -122.55 104.19 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -150.9 -133.86 2.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 121.9 18.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.32 147.25 12.2 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.607 0.718 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.374 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.6 p -126.47 144.53 50.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.64 -156.39 22.86 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -15.49 37.12 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -43.24 165.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 71.8 p -123.06 91.48 3.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.437 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 t -70.33 158.38 36.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.1 p -142.2 143.3 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.38 74.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -114.93 120.66 40.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -126.88 108.71 11.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.62 -48.71 27.65 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -93.27 174.14 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -82.37 1.66 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -146.08 151.64 38.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 51.6 mttt -131.55 160.62 66.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.543 0.687 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 53.1 Cg_endo -69.82 -23.06 30.95 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.254 . . . . 0.0 112.307 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 72.1 m-85 -150.72 116.11 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -134.03 162.15 32.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.1 t -67.87 151.44 47.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -92.37 -24.38 18.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 23.5 mp0 -72.42 -62.36 1.47 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.04 -53.01 3.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.29 20.52 1.98 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.584 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -44.27 164.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.343 . . . . 0.0 110.898 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' CA ' ' HD2' ' A' ' 11' ' ' LYS . . . -104.82 134.69 12.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 48.4 m-85 -146.04 172.69 13.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.379 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -121.8 -28.73 4.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -120.85 153.25 37.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.192 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -62.01 -51.84 66.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.5 t -42.17 -52.57 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -61.33 2.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.8 t -40.3 -38.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -73.33 -46.22 50.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.1 m -47.64 -48.66 28.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -64.3 -50.36 68.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -38.74 -59.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -39.84 -48.0 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.7 t -40.93 -49.92 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.495 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 31.5 m-70 -45.7 107.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.5 t -57.43 141.11 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.06 40.11 2.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -86.02 161.03 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.86 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.27 133.51 10.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.529 0.681 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.58 68.97 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.3 p -81.11 -37.66 28.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.58 -99.29 2.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 134.53 28.0 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.3 p -98.2 123.82 42.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t -93.55 144.34 25.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.549 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -169.85 175.83 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.903 0.382 . . . . 0.0 110.826 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -135.09 162.47 32.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.811 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.32 114.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 59.36 42.54 17.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.379 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 m -64.42 -45.83 85.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.93 155.17 38.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.507 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -153.04 163.31 40.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.87 172.83 19.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -109.62 154.78 22.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.955 0.407 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 23.8 mttp -153.41 161.99 27.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.582 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.75 -18.78 36.84 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 56.6 m-85 -161.79 118.39 2.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.08 162.61 31.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.69 150.68 48.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.822 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -92.96 -24.4 18.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 48.5 mm-40 -71.57 -60.52 2.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.69 -51.32 3.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.89 7.27 2.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.547 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -37.3 141.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.477 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -89.58 146.53 18.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 73.2 m-85 -151.38 -178.19 6.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.35 . . . . 0.0 110.903 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -128.68 -32.44 2.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 43.7 p -115.92 131.03 57.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -44.41 -54.2 6.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.6 t -45.12 -47.48 12.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -60.44 -55.09 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 30.6 t -45.43 -47.65 13.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -67.05 -45.0 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.8 t -45.29 -44.89 11.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' GLN . 4.7 t60 -71.02 -49.03 49.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' HIS . 13.4 tt0 -37.03 -51.12 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -38.57 -48.45 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.8 t -40.21 -48.71 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 91.0 m-70 -59.9 147.95 36.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 m -88.94 150.59 22.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.21 -178.58 16.0 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -152.25 137.24 17.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.944 0.402 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -125.88 154.75 73.59 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.522 0.677 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 1.24 4.59 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.4 m -41.12 -60.78 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.11 168.75 40.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.7 3.31 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 72.8 p -80.09 50.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.818 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -121.69 83.74 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.2 p -139.55 155.98 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 t -62.66 154.18 30.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.56 170.77 35.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -150.91 166.48 30.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -106.59 83.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.32 102.18 1.02 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.473 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -71.28 91.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.935 0.398 . . . . 0.0 110.893 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.73 -173.24 16.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -112.88 -178.9 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 10.9 mttm -132.99 156.2 80.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.596 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -11.26 30.46 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.709 2.273 . . . . 0.0 112.338 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 70.5 m-85 -157.68 109.93 2.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.77 145.96 50.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.1 t -51.05 144.14 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' CG ' ' OE1' ' A' ' 17' ' ' GLU . 5.1 pt-20 -89.76 -20.71 23.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -71.6 -55.28 8.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.91 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 p -110.76 -52.21 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 134.94 2.75 3.02 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' HD3' ' CG ' ' A' ' 31' ' ' HIS . 35.2 tttp -36.53 140.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.487 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -91.39 147.52 18.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.517 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 62.0 m-85 -148.9 163.32 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -112.74 12.71 19.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.445 HG23 ' HB2' ' A' ' 27' ' ' GLN . 0.1 OUTLIER -170.07 160.76 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.175 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.49 -43.52 93.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -55.43 -43.16 75.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' HB2' HG23 ' A' ' 24' ' ' THR . 3.8 mm100 -67.35 -38.08 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 4.5 t -63.9 -37.44 87.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -75.89 -46.04 32.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 t -42.77 -48.09 5.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CG ' ' HD3' ' A' ' 20' ' ' LYS . 4.8 t60 -74.9 -50.37 17.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -41.64 -29.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -49.76 -43.65 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 t -51.9 -48.73 64.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 17' ' ' GLU . 96.6 m-70 -61.08 132.54 54.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.2 m -157.4 143.66 17.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -152.86 135.75 5.04 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.67 37.01 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.23 146.69 32.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 91.02 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.258 . . . . 0.0 112.3 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.6 p -97.36 -41.77 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.53 -168.78 53.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 98.83 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.38 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.3 m -61.12 -59.36 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.8 t -118.6 146.72 44.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.445 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -149.54 114.32 5.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -108.31 155.09 20.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.814 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.38 40.01 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -62.0 94.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.874 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 p -122.0 81.25 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.33 -88.91 0.9 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.4 m -54.12 101.69 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.82 111.85 3.65 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -129.7 147.04 51.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.481 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 33.7 mttt -121.21 160.12 46.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.533 0.682 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.71 -18.91 36.99 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.9 m-85 -152.36 111.28 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 pttt -128.11 153.62 46.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.8 t -64.37 149.33 48.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.508 ' H ' ' NE2' ' A' ' 32' ' ' GLN . 3.2 pt-20 -92.19 -21.7 20.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 56.2 mm-40 -74.47 -61.29 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.8 p -103.15 -51.87 3.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.48 22.81 1.61 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.583 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 9.0 tptt -47.48 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.939 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.481 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -121.32 136.89 11.43 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.482 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 38.6 m-85 -150.89 168.76 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.934 0.397 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -116.02 -31.95 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.971 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -113.47 136.37 52.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.98 -46.38 52.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.6 p -48.59 -40.93 29.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -70.5 -45.51 65.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 8.2 t -54.3 -45.26 72.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -67.21 -47.54 70.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 m -43.57 -51.7 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -70.74 -45.31 65.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.508 ' NE2' ' H ' ' A' ' 16' ' ' GLU . 7.3 mm-40 -47.0 -42.7 18.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -52.68 -42.85 65.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.1 m -45.64 -49.14 14.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 58.2 m-70 -52.5 106.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 t -111.12 38.12 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.96 134.76 52.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -109.22 82.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -95.68 149.05 35.54 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.558 0.694 . . . . 0.0 110.91 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 135.93 31.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 2.238 . . . . 0.0 112.351 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.4 m -83.27 78.96 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.48 72.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 2.75 3.27 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.1 p 51.53 52.89 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 m -82.23 -175.03 5.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.505 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 t -135.28 125.43 26.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 t -88.86 103.15 15.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -80.08 -37.21 22.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 59.6 p -34.96 137.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 110.864 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -123.3 178.71 5.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.19 151.92 2.47 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.9 m -94.93 -59.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.51 170.88 35.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -70.49 168.58 15.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.944 0.402 . . . . 0.0 110.844 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 30.9 mttp -146.83 158.08 46.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.557 0.694 . . . . 0.0 110.868 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.73 -18.39 37.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 12' ' ' PRO . 59.7 m-85 -158.48 124.54 4.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 pttt -133.69 163.6 29.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.5 t -75.92 153.29 36.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.15 -26.67 17.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 32.0 mp0 -70.71 -63.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -100.97 -53.15 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.08 26.41 2.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 5.8 ttpt -51.86 -179.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.475 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -117.74 137.78 13.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.466 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 20' ' ' LYS . 27.3 m-85 -145.58 146.26 31.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -95.85 -27.17 15.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.4 p -122.76 140.64 52.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.189 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 26' ' ' SER . 1.6 t30 -49.19 -61.53 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 25' ' ' ASN . 72.5 m -35.07 -56.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -54.25 -57.49 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.55 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 32.9 t -41.82 -44.0 3.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.2 -51.59 20.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -41.32 -28.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -90.73 -45.84 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -46.04 -38.57 8.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -66.03 -36.37 83.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.3 t -50.76 -39.79 53.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.2 m-70 -54.88 144.26 23.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.3 p -107.13 78.01 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.33 -106.2 3.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -149.61 160.4 43.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -115.37 134.68 22.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.549 0.69 . . . . 0.0 110.954 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 2.51 3.45 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.345 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.9 p -47.93 164.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.64 144.81 4.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 109.91 2.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.8 t -43.48 -59.43 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.3 p -136.8 117.75 14.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.531 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.8 p -112.56 91.66 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.823 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -106.73 168.78 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.17 128.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.5 m -126.44 85.53 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 t -128.71 105.77 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.47 49.5 26.32 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.9 t -70.51 86.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.849 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 40.89 73.29 0.2 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 5.4 tp10 -94.56 150.22 20.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD3' ' CA ' ' A' ' 21' ' ' GLY . 14.5 mttt -137.91 155.9 74.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.417 ' O ' ' CG ' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.75 -13.76 35.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CG ' ' O ' ' A' ' 12' ' ' PRO . 81.6 m-85 -157.58 110.48 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttm -130.26 152.31 49.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -64.24 147.96 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -90.87 -19.97 22.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 5.1 mm-40 -76.27 -62.17 1.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.7 p -101.4 -51.85 3.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.45 21.15 2.06 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.604 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.2 tptp -44.43 167.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.492 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . . . -117.35 128.32 7.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 33.5 m-85 -141.48 158.47 43.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -103.27 -31.88 9.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 p -109.41 144.41 37.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -60.42 -50.85 71.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.9 m -43.71 -49.24 7.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -50.78 71.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 40.4 t -48.71 -43.77 37.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -67.1 -46.8 73.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.7 t -47.15 -57.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 32' ' ' GLN . 12.6 t60 -56.3 -52.66 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' HIS . 16.6 tt0 -36.92 -53.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -42.84 -45.38 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.4 t -40.45 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 89.4 m-70 -57.66 136.58 56.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.8 m -120.93 95.38 4.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.8 161.91 37.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.526 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -96.71 145.72 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.398 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 mttm -143.42 154.06 59.84 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 168.52 21.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 0.0 112.305 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -105.39 -58.58 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.65 146.01 7.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.448 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.77 -6.46 18.64 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.8 m -51.56 89.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' PRO . 58.0 m -164.17 122.44 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.088 -0.84 . . . . 0.0 112.469 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -54.59 -52.79 61.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m 53.73 42.21 31.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.95 41.61 96.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -67.09 90.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.877 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.4 p -82.73 158.45 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.24 151.55 5.5 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.461 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -77.17 127.73 33.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.821 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.46 -50.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -54.6 143.15 25.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 46.0 mttt -134.3 159.42 72.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.488 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -14.86 36.59 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.317 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 73.6 m-85 -155.19 111.01 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.99 160.87 35.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.68 151.01 43.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -24.62 18.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 61.9 mm-40 -71.32 -60.29 2.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.92 -51.73 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.81 7.05 2.73 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 7.0 tptp -36.35 141.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.96 146.2 18.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.433 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 53.7 m-85 -151.31 179.65 8.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -127.29 -31.71 2.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -122.66 134.76 54.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -41.11 -50.21 3.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 t -47.54 -50.14 24.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -58.95 -46.99 86.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 20.0 t -57.26 -42.2 81.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.26 -49.84 52.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 33' ' ' ARG . 6.9 t -42.65 -37.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.826 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -83.77 -45.49 13.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -46.05 -52.04 12.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 30' ' ' SER . 7.7 ptp85 -54.67 -31.64 58.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 t -56.27 -48.05 77.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 24.6 m-70 -42.43 100.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.7 m -155.55 173.97 15.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.44 -49.71 0.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -95.09 144.97 25.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -67.12 142.09 96.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.543 0.687 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -4.4 13.93 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.701 2.267 . . . . 0.0 112.312 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.8 m -86.92 -61.68 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.54 153.98 9.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.65 5.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.691 2.261 . . . . 0.0 112.328 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 m -102.48 42.37 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -114.18 42.16 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.48 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -167.27 154.97 9.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 t -115.16 94.09 4.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.828 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.19 106.05 1.65 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -86.47 -47.12 9.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.5 p -64.2 147.99 51.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.01 -173.33 23.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -104.67 153.97 20.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.51 43.68 0.54 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -100.39 143.35 30.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 43.4 mttt -144.94 160.34 46.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.92 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.528 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.0 Cg_endo -69.8 -17.65 37.27 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.294 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 51.0 m-85 -153.31 111.9 3.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -130.28 162.48 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -73.1 149.09 43.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -90.92 -23.06 20.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.2 mm-40 -73.31 -63.86 1.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 p -100.68 -52.36 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 128.78 18.2 1.78 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.444 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 6.7 tptp -43.63 162.51 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.479 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -110.79 138.86 15.21 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 34.5 m-85 -149.92 171.52 16.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 110.888 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.02 -33.47 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.5 p -114.0 139.2 49.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.186 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -49.15 -55.26 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.5 t -41.09 -50.16 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -58.68 -50.67 73.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 7.3 t -51.56 -48.02 63.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -64.09 -42.7 96.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.7 t -47.69 -50.14 25.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -75.6 -48.45 22.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -40.73 -43.47 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 34' ' ' SER . 37.5 mtm180 -53.73 -46.7 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 36' ' ' SER . 31.2 t -37.07 -51.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.516 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 87.3 m-70 -54.48 86.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' SER . 27.4 m -117.22 -56.26 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.3 136.43 12.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.474 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.85 146.32 49.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.96 0.409 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -124.6 142.09 39.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.563 0.697 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 140.61 42.95 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.315 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.1 m -101.58 142.17 33.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.81 -157.34 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -18.34 37.27 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.751 2.301 . . . . 0.0 112.334 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.3 t -166.64 134.89 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.5 p -119.5 112.59 19.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.554 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 1' ' ' GLY . 34.7 t -34.5 142.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -88.19 -48.79 7.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.32 59.36 1.54 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -132.24 -46.94 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.0 110.859 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.9 p -91.64 93.23 8.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.97 103.37 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -130.82 155.5 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.71 102.85 0.54 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.534 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -74.63 168.93 18.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.393 . . . . 0.0 110.898 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 69.5 mttt -148.65 161.16 34.14 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.915 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.56 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 54.4 Cg_endo -69.71 -14.86 36.87 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 65.0 m-85 -157.32 110.77 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.55 34.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -67.98 149.52 49.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -91.7 -23.43 19.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.0 mp0 -72.72 -61.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.5 p -103.77 -52.4 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.05 22.54 1.54 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 23.1 tttp -50.33 159.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.29 141.16 15.21 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 59.8 m-85 -148.54 177.39 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -128.62 -30.15 2.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.4 p -123.4 133.74 54.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -40.44 -45.18 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.7 p -51.34 -53.38 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -56.91 -48.45 78.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 22.0 t -53.3 -46.09 69.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' HIS . 51.9 t80 -66.64 -55.21 16.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.5 m -38.11 -28.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 29' ' ' TYR . 14.5 t60 -92.91 -46.6 7.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -49.5 -50.01 43.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -45.73 -34.5 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.2 t -58.84 -48.54 80.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 41.2 m-70 -49.59 132.95 21.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 99.2 p -172.78 113.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.83 48.63 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -118.1 111.21 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.23 119.48 64.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.56 0.695 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -27.07 27.03 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.699 2.266 . . . . 0.0 112.364 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 t -137.82 168.42 19.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 96.27 82.9 1.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.01 3.91 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -81.0 109.75 15.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.8 p -94.16 171.94 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.481 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -172.4 112.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -121.87 91.25 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.826 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.81 132.06 11.57 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 p -83.16 160.4 21.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -95.19 -51.95 4.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.79 70.4 0.85 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.4 t -159.68 128.65 5.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.936 0.398 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.33 -90.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -157.51 -179.45 8.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.388 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 48.6 mttt -120.82 160.53 44.25 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.521 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.82 -14.26 35.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 82.9 m-85 -157.77 111.88 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.96 158.13 43.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -60.05 146.7 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -90.18 -21.08 22.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 7.1 mm-40 -74.26 -60.75 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.7 p -104.26 -51.34 3.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 133.51 5.23 2.96 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -35.12 143.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.79 0.328 . . . . 0.0 110.925 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' HA3' ' CD ' ' A' ' 11' ' ' LYS . . . -93.26 140.48 15.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 63.3 m-85 -146.76 176.51 9.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -123.99 -29.44 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.7 p -117.16 135.77 53.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -49.68 -42.06 44.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.9 t -50.74 -58.6 5.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.03 -50.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.955 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 9.7 t -48.34 -43.35 33.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -73.52 -41.43 63.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.0 t -51.93 -54.85 24.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -56.34 -46.84 79.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -41.37 -42.4 2.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -40.78 -45.95 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.9 t -44.93 -50.21 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.442 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 98.1 m-70 -63.92 -44.67 92.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -50.8 107.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.74 -49.67 0.89 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -48.98 128.07 15.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.916 0.388 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -59.62 137.99 89.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.549 0.69 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -28.68 25.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.64 2.227 . . . . 0.0 112.341 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.6 m -148.42 126.89 12.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.74 121.71 7.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -28.53 25.24 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.345 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.7 p -65.73 140.88 58.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' GLY . 16.1 m -111.35 138.68 47.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.376 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.516 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 m -159.1 155.68 27.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -75.51 174.97 8.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.11 -42.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 t -118.83 161.47 20.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.895 0.378 . . . . 0.0 110.877 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -73.38 179.76 3.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.22 -142.27 15.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -56.02 93.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -163.49 44.27 0.33 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -161.8 162.23 29.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 53.3 mttt -153.05 161.94 27.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.593 0.711 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.59 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -13.41 34.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.59 ' CD1' ' O ' ' A' ' 12' ' ' PRO . 78.2 m-85 -161.55 114.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.17 164.49 27.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.7 t -67.33 151.61 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -25.79 17.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 17.5 mm-40 -70.62 -61.09 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 p -104.45 -51.54 3.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 132.39 10.04 2.23 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.475 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -37.91 141.78 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.879 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.68 143.98 17.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 60.1 m-85 -149.24 179.98 7.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.836 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -129.6 -33.16 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.1 p -118.18 127.77 54.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -38.81 -45.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 m -47.72 -53.07 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -59.72 -49.6 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 19.8 t -50.55 -45.61 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -66.08 -53.79 33.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.2 t -39.6 -50.26 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -72.72 -45.97 55.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -48.86 -44.83 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -69.85 -24.57 63.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.1 t -60.18 -46.24 90.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 22.1 m-70 -39.51 -54.46 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.4 t -73.94 100.65 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.819 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.12 -78.4 0.15 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.44 175.72 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.87 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.64 147.0 19.36 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 110.871 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 153.9 68.17 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -94.99 40.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.53 -157.75 0.57 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 124.5 11.14 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -161.46 147.39 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 t -46.59 117.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.473 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -124.08 109.93 14.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -123.98 127.9 48.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -74.25 142.29 30.19 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 4' ' ' GLY . 4.2 m -35.56 151.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 m -65.68 177.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.54 -162.74 34.9 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.0 t -89.01 130.74 35.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.911 0.386 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.15 41.13 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' LYS . 2.6 tp10 -102.26 150.64 23.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.939 0.4 . . . . 0.0 110.867 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 21.6 mttp -143.99 159.97 51.25 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.531 0.682 . . . . 0.0 110.971 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.1 Cg_endo -69.72 -25.0 29.21 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.698 2.265 . . . . 0.0 112.328 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 60.7 m-85 -145.35 113.14 6.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -131.0 159.21 38.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.1 t -69.45 153.22 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -93.11 -26.69 17.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 11.7 mm-40 -70.43 -62.25 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.66 -53.22 2.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.62 19.57 2.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -44.77 158.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.76 137.73 13.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.522 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 60.2 m-85 -148.71 176.17 10.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -125.64 -30.13 3.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.947 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.3 p -119.05 134.66 55.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.181 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -46.18 -51.92 13.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -44.19 -50.3 8.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -61.11 -48.21 82.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.2 t -55.03 -41.82 71.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -70.15 -48.36 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 t -44.37 -36.16 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -86.03 -46.18 10.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -43.52 -42.04 4.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -63.18 -34.61 78.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.7 p -48.6 -41.73 31.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.821 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.1 m-70 -57.21 127.16 30.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 95.9 p -84.16 46.93 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -94.89 -60.05 1.09 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.61 117.53 7.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -111.19 147.56 36.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.51 0.671 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 92.24 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.68 2.254 . . . . 0.0 112.362 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.0 p -51.44 156.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 141.93 -75.32 0.33 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 168.96 20.15 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 t -53.78 155.3 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.6 t -53.62 -55.56 24.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.474 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 p -51.39 166.15 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -117.02 107.35 14.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.39 55.95 0.7 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -159.96 166.15 30.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -71.27 -42.88 68.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.6 -87.32 1.95 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.6 t 58.27 44.69 18.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.81 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.89 132.52 11.15 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -47.99 146.94 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.957 0.408 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 48.7 mttt -138.71 157.85 71.19 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.422 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.74 -19.55 36.1 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.698 2.265 . . . . 0.0 112.329 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 45.3 m-85 -146.3 108.72 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -131.78 162.63 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.6 t -69.28 149.17 48.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -91.28 -22.31 20.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HG3' ' CG ' ' A' ' 35' ' ' HIS . 68.8 mm-40 -74.11 -63.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -101.23 -52.4 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.49 20.95 1.68 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -47.02 160.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.7 139.22 14.53 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.569 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 64.7 m-85 -150.47 173.83 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -122.09 -28.87 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.1 p -120.69 146.79 46.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -59.7 -46.27 89.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -48.57 -41.5 30.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -70.6 -55.73 8.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.569 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 6.5 t -43.35 -37.24 2.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.34 -48.65 32.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.2 p -42.32 -37.1 1.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -87.64 -51.84 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -40.62 -50.15 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.435 ' CG ' ' N ' ' A' ' 34' ' ' SER . 28.1 ptt180 -46.57 -45.68 18.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.435 ' N ' ' CG ' ' A' ' 33' ' ' ARG . 36.6 t -41.32 -54.11 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.489 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 77.0 m-70 -46.77 137.17 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 m -143.48 147.08 33.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.11 -126.04 10.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -116.72 145.58 43.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -45.87 149.5 1.16 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 169.49 18.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.4 p -85.94 49.6 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.02 124.17 5.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -32.06 19.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.242 . . . . 0.0 112.375 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.9 p -146.24 144.31 29.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 m -97.48 -55.84 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.491 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.5 p -90.27 174.53 7.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.922 0.391 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.4 t -73.12 105.41 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.56 -88.1 0.46 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.485 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -74.36 135.41 42.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t -44.86 -54.68 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.41 70.81 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.9 p -174.31 176.04 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.44 41.02 98.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -76.76 164.55 25.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.383 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.485 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 67.4 mttt -138.74 159.43 67.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.4 Cg_endo -69.79 -20.31 34.83 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 59.9 m-85 -149.94 113.3 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -131.98 163.2 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -71.78 149.78 45.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.44 -23.42 20.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.524 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 66.8 mm-40 -73.0 -63.22 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 p -101.47 -52.8 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.16 21.52 1.67 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 2.4 tptp -46.43 164.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.414 ' HA3' ' NZ ' ' A' ' 11' ' ' LYS . . . -110.85 136.65 13.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 40.3 m-85 -146.88 174.52 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.87 -34.85 3.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.976 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 78.0 p -112.77 133.1 54.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -42.1 -59.29 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.5 m -39.9 -54.69 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -54.29 -44.03 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.574 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 25.2 t -59.1 -39.87 83.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 30' ' ' SER . 38.2 t80 -69.92 -55.76 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' TYR . 23.8 p -37.28 -37.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -83.38 -44.94 14.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -49.03 -36.6 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -64.92 -44.08 90.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 t -43.61 -53.7 5.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.6 m-70 -40.93 110.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.6 m -118.16 107.48 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -93.58 139.46 14.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -70.77 94.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -91.28 128.93 45.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.7 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -44.44 2.11 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.664 2.243 . . . . 0.0 112.359 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.2 m -127.25 97.25 4.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.03 173.22 22.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 168.51 21.44 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.718 2.279 . . . . 0.0 112.341 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.2 t -101.93 -44.04 5.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t -91.4 -56.15 3.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.473 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -84.32 -38.13 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -90.65 130.69 36.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.19 90.6 0.21 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 55.11 42.37 30.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -102.57 41.83 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.72 147.66 4.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.542 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.2 t -87.77 149.66 24.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.07 -163.9 0.29 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.488 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -110.53 -176.68 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.921 0.391 . . . . 0.0 110.889 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' HD3' ' N ' ' A' ' 22' ' ' PHE . 37.5 mttt -129.29 161.94 55.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.574 0.702 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 54.3 Cg_endo -69.73 -22.61 32.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD1' ' HB2' ' A' ' 12' ' ' PRO . 67.7 m-85 -149.96 112.57 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 155.65 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -63.74 145.88 54.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.49 -18.61 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 25.9 mp0 -77.38 -62.62 1.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 p -100.94 -51.38 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.96 14.03 2.59 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 7.3 tptt -40.6 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.317 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.517 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -106.09 137.31 13.75 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.538 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 28' ' ' CYS . 44.3 m-85 -150.26 166.71 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -117.15 -31.86 5.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.9 p -112.67 126.18 55.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' SER . 18.2 t-20 -40.97 -57.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ASN . 29.2 m -37.56 -55.81 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.23 -55.05 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.575 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 14.5 t -46.13 -42.72 14.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -68.88 -48.03 64.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -46.9 -42.42 17.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.97 -50.82 15.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -38.97 -56.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.0 mtm105 -39.39 -47.13 1.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.9 t -40.44 -49.59 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.464 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.7 m-70 -51.41 145.01 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.9 m -113.35 146.31 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -168.25 -42.3 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.99 48.37 1.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 10.2 tppt? -116.32 109.22 44.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.74 120.48 7.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -77.52 131.7 38.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.04 165.56 17.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -39.64 6.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 36.8 p -153.54 145.94 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 p -89.29 147.66 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.542 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -132.31 146.06 51.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.885 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.3 p -55.32 -42.82 74.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.99 -93.08 0.78 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p -116.23 170.8 8.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.83 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -81.99 47.94 1.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.23 -154.79 20.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -84.66 -43.55 14.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.934 0.397 . . . . 0.0 110.842 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.08 -109.18 0.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.431 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -170.46 -179.93 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.878 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CD ' ' HA3' ' A' ' 21' ' ' GLY . 15.9 mttp -122.48 162.36 38.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.586 ' C ' ' CD1' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.77 -16.94 37.76 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.586 ' CD1' ' C ' ' A' ' 12' ' ' PRO . 57.2 m-85 -160.58 117.07 2.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -134.23 152.8 52.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -57.28 146.88 27.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -92.46 -23.91 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.581 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 59.8 mm-40 -68.52 -55.52 11.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 p -109.96 -50.81 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.472 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . 137.02 -1.39 3.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 22' ' ' PHE . 6.7 tptp -32.55 146.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 22' ' ' PHE . . . -97.31 153.9 20.32 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.578 ' CD1' ' O ' ' A' ' 21' ' ' GLY . 37.1 m-85 -157.92 150.47 22.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -93.3 -31.6 14.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -120.12 143.64 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -58.78 -34.26 71.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -57.4 -47.27 82.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.65 -49.23 71.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.567 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 35.8 t -47.11 -41.43 17.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -70.46 -44.58 67.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.947 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -45.8 -41.8 11.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -83.85 -50.32 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -42.16 -52.19 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 34' ' ' SER . 10.5 ptt180 -54.35 -37.14 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' HIS . 7.8 t -50.5 -52.34 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 22.4 m-70 -36.12 -64.06 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 p -74.43 152.9 39.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.29 -94.05 0.67 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' C ' ' HD3' ' A' ' 39' ' ' LYS . 3.1 pm0 -99.73 136.91 38.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' A' ' 38' ' ' GLU . 2.3 mppt? -138.87 139.77 24.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -76.34 125.86 29.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -118.5 164.12 12.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 104.96 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.236 . . . . 0.0 112.31 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.6 m -81.01 44.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.4 t -67.36 -42.27 83.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.468 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_