data_2lt8_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 2lt8 _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.98 0 CA-C-O 118.531 -1.149 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 54.31 45.31 27.5 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.72 0.76 . . . . 25.0 111.866 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.24 -15.14 46.5 Favored Glycine 0 C--O 1.225 -0.462 0 CA-C-N 115.559 -0.746 . . . . 25.0 114.435 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 145.4 31.52 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.62 141.6 68.8 Favored 'Cis proline' 0 C--N 1.355 0.904 0 CA-C-N 117.949 0.303 . . . . 25.0 112.35 -1.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.92 -67.01 0.48 Allowed Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.961 -0.856 . . . . 25.0 110.961 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -122.67 121.58 36.74 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.49 40.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.665 -0.698 . . . . 25.0 111.858 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -67.91 -45.77 73.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.976 -0.452 . . . . 25.0 111.052 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.62 -34.39 77.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.193 0.521 . . . . 25.0 110.501 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.73 -41.72 98.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.628 0.728 . . . . 25.0 109.751 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 t -64.43 -44.75 90.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 25.0 111.16 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.73 -41.67 95.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.213 0.46 . . . . 25.0 110.97 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.8 m -63.98 -43.0 97.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.072 -0.392 . . . . 25.0 110.845 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.66 70.85 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.15 -18.34 63.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.789 0.328 . . . . 25.0 111.358 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.97 129.24 1.13 Allowed Glycine 0 C--O 1.219 -0.826 0 N-CA-C 111.023 -0.831 . . . . 25.0 111.023 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -13.96 54.41 Favored Glycine 0 C--O 1.223 -0.562 0 N-CA-C 116.239 1.256 . . . . 25.0 116.239 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.17 75.85 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 110.475 -1.05 . . . . 25.0 110.475 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -78.32 127.1 31.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -89.75 -15.75 31.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.692 -0.484 . . . . 25.0 109.692 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.42 -150.51 11.56 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.583 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.74 166.61 39.8 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.003 -1.239 . . . . 25.0 110.003 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -132.33 162.73 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 m -103.75 136.28 43.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.757 0.313 . . . . 25.0 111.251 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -173.06 3.83 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.324 -2.102 . . . . 25.0 105.324 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.91 -179.92 41.86 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 119.27 -1.443 . . . . 25.0 114.23 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -68.13 -176.06 0.96 Allowed 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 123.318 2.679 . . . . 25.0 113.253 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -65.37 0.6 1.4 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.018 -1.446 . . . . 25.0 113.495 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -142.78 163.36 33.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.6 mt 64.15 -163.63 0.26 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.319 1.048 . . . . 25.0 109.767 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.47 -110.12 2.61 Favored Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.421 -0.419 . . . . 25.0 112.37 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -124.13 63.55 32.61 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 112.778 0.659 . . . . 25.0 112.778 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -74.25 -17.33 21.69 Favored 'Trans proline' 0 C--N 1.352 0.752 0 N-CA-C 115.859 1.446 . . . . 25.0 115.859 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.0 m -91.29 116.33 28.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.109 0.481 . . . . 25.0 112.032 -173.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -81.44 131.66 35.29 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 172.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.4 m -125.82 132.73 52.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 104.608 -2.367 . . . . 25.0 104.608 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -169.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -123.12 155.48 36.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.953 -1.021 . . . . 25.0 109.239 -177.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 . . . . . 0 C--O 1.253 1.26 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 176.133 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 118.402 -1.221 . . . . 25.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 52.21 50.55 18.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 117.919 0.86 . . . . 25.0 112.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.75 -21.12 24.39 Favored Glycine 0 C--O 1.225 -0.419 0 CA-C-N 115.425 -0.807 . . . . 25.0 113.699 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.58 144.28 28.33 Favored Pre-proline 0 C--O 1.242 0.689 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.54 143.22 77.15 Favored 'Cis proline' 0 C--N 1.354 0.853 0 O-C-N 121.615 0.271 . . . . 25.0 112.569 -0.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.66 -64.1 0.57 Allowed Glycine 0 C--O 1.226 -0.354 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.07 127.63 53.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.288 0.566 . . . . 25.0 112.276 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.86 -15.9 29.15 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.939 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -66.03 -51.23 60.11 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.937 -0.477 . . . . 25.0 110.62 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.3 -31.12 72.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.403 0.62 . . . . 25.0 110.796 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.32 -41.18 90.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.402 0.62 . . . . 25.0 109.791 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -64.82 -43.92 91.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.231 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -58.98 -43.3 91.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.776 0.262 . . . . 25.0 110.605 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -60.38 -47.92 84.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.564 -0.289 . . . . 25.0 110.872 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.877 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -63.06 -35.3 79.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.237 -0.29 . . . . 25.0 111.129 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.07 -31.56 72.51 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.96 -18.63 63.36 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.115 0.413 . . . . 25.0 112.115 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.02 134.68 1.93 Allowed Glycine 0 C--O 1.218 -0.881 0 C-N-CA 120.289 -0.958 . . . . 25.0 112.164 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.87 -16.2 61.28 Favored Glycine 0 C--O 1.22 -0.753 0 N-CA-C 115.828 1.091 . . . . 25.0 115.828 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.77 -23.11 77.36 Favored Glycine 0 C--O 1.223 -0.564 0 N-CA-C 111.12 -0.792 . . . . 25.0 111.12 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.38 125.19 29.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -87.68 -20.22 26.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.513 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.27 11.01 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.593 -1.003 . . . . 25.0 110.593 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.62 168.73 40.78 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.498 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -127.7 168.16 15.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 m -112.56 138.99 48.52 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.12 -173.55 3.86 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 104.687 -2.338 . . . . 25.0 104.687 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.64 -175.61 38.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.141 -1.504 . . . . 25.0 114.973 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.56 -177.52 1.21 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.652 2.901 . . . . 25.0 113.683 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -66.46 0.5 2.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.154 -1.384 . . . . 25.0 113.204 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -145.4 165.68 27.79 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.4 mt 64.47 -166.44 0.23 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.347 1.059 . . . . 25.0 109.294 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.19 -110.59 2.6 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 121.45 -0.405 . . . . 25.0 112.256 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -124.78 64.93 43.57 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 114.328 1.233 . . . . 25.0 114.328 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -72.76 -17.62 25.71 Favored 'Trans proline' 0 C--N 1.352 0.737 0 N-CA-C 116.037 1.514 . . . . 25.0 116.037 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.5 m -89.94 119.65 30.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 25.0 111.411 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -80.93 128.56 33.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -122.28 129.5 52.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.78 148.59 22.75 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -167.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -112.6 155.72 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.607 -1.179 . . . . 25.0 108.466 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--O 1.255 1.369 0 N-CA-C 102.083 -3.303 . . . . 25.0 102.083 175.758 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 56.27 41.93 28.57 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.713 0.768 . . . . 25.0 111.593 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.98 -23.0 22.8 Favored Glycine 0 C--O 1.229 -0.191 0 CA-C-N 115.095 -0.957 . . . . 25.0 113.224 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.34 150.49 37.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 122.182 -0.599 . . . . 25.0 111.701 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.93 129.64 17.13 Favored 'Cis proline' 0 C--N 1.35 0.626 0 N-CA-C 114.427 0.895 . . . . 25.0 114.427 0.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.05 -67.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 110.833 -0.907 . . . . 25.0 110.833 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -90.31 88.1 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.099 0.952 . . . . 25.0 111.968 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.81 -24.06 63.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.311 -0.859 . . . . 25.0 111.453 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -70.97 -44.62 65.61 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.128 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -63.79 -36.18 83.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 25.0 110.073 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -62.33 -41.33 98.48 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.154 0.502 . . . . 25.0 109.94 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -64.66 -46.14 83.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.266 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -62.07 -40.14 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 118.312 0.505 . . . . 25.0 111.016 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.58 -47.61 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 176.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 m -63.47 -43.73 96.48 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.938 -0.305 . . . . 25.0 111.66 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -60.43 -35.29 75.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.061 -0.399 . . . . 25.0 111.17 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.34 70.97 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.7 -16.13 62.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.788 0.327 . . . . 25.0 111.73 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.12 124.65 0.79 Allowed Glycine 0 C--O 1.22 -0.776 0 N-CA-C 110.594 -1.002 . . . . 25.0 110.594 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.48 50.79 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 116.373 1.309 . . . . 25.0 116.373 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.28 -23.34 78.1 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 110.867 -0.893 . . . . 25.0 110.867 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -75.72 128.45 35.22 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -85.34 -18.96 32.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.287 -0.635 . . . . 25.0 109.287 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.11 9.43 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.754 -0.657 . . . . 25.0 112.917 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.18 166.72 39.69 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.722 -1.351 . . . . 25.0 109.722 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.81 164.1 27.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.425 -1.324 . . . . 25.0 107.425 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.5 m -110.26 134.35 52.34 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.035 -0.358 . . . . 25.0 110.035 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.12 -170.02 3.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.215 -2.143 . . . . 25.0 105.215 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -177.34 43.59 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 119.139 -1.505 . . . . 25.0 114.77 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.81 -176.18 0.92 Allowed 'Trans proline' 0 C--O 1.219 -0.443 0 C-N-CA 124.162 3.241 . . . . 25.0 113.454 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -63.5 -2.86 1.76 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.039 -1.437 . . . . 25.0 113.808 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -134.96 156.53 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.4 mt 64.68 -170.74 0.19 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.521 1.128 . . . . 25.0 109.509 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.24 -94.75 1.71 Allowed Glycine 0 C--O 1.221 -0.663 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.617 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -127.69 63.39 60.0 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 113.939 1.089 . . . . 25.0 113.939 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -71.76 -20.15 26.65 Favored 'Trans proline' 0 C--N 1.352 0.754 0 N-CA-C 115.892 1.458 . . . . 25.0 115.892 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.7 m -96.43 118.44 32.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 25.0 112.142 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 m -81.07 131.65 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 m -127.42 134.09 49.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 104.419 -2.438 . . . . 25.0 104.419 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -96.56 153.25 17.95 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.121 -0.632 . . . . 25.0 112.338 -169.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -126.01 153.93 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.283 -0.871 . . . . 25.0 109.584 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 C--O 1.25 1.097 0 N-CA-C 103.371 -2.826 . . . . 25.0 103.371 179.004 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.968 0 CA-C-O 118.527 -1.152 . . . . 25.0 111.311 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 54.78 44.99 27.59 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 117.639 0.719 . . . . 25.0 111.741 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.61 32.76 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.766 -0.652 . . . . 25.0 114.096 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.28 146.09 32.06 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -72.28 143.17 76.4 Favored 'Cis proline' 0 C--N 1.354 0.83 0 CA-C-N 118.002 0.322 . . . . 25.0 112.51 -1.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.94 -65.18 0.56 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 110.665 -0.974 . . . . 25.0 110.665 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -118.39 123.22 44.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.93 0.715 . . . . 25.0 112.93 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 -16.76 35.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.727 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -66.63 -50.06 64.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.1 -0.375 . . . . 25.0 110.74 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -64.0 -33.04 74.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 25.0 110.358 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.57 -42.34 98.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.204 0.525 . . . . 25.0 109.59 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.4 -45.45 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.731 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.55 -41.19 94.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.015 0.371 . . . . 25.0 110.945 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.63 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.01 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.1 -43.32 95.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -62.72 -35.01 78.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.725 0.298 . . . . 25.0 110.772 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.6 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.39 -18.65 63.78 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.22 132.85 1.61 Allowed Glycine 0 C--O 1.216 -0.991 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.57 -15.64 57.63 Favored Glycine 0 C--O 1.22 -0.756 0 N-CA-C 116.084 1.194 . . . . 25.0 116.084 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.86 75.42 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 110.862 -0.895 . . . . 25.0 110.862 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -79.76 127.9 32.78 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -97.21 -13.32 22.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.897 0.38 . . . . 25.0 110.934 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.89 -155.13 18.89 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.41 165.17 38.62 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.86 -0.896 . . . . 25.0 110.86 178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -132.98 162.62 31.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.948 -1.13 . . . . 25.0 107.948 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.1 m -106.87 139.37 41.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 25.0 111.802 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.58 -173.37 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.759 -2.312 . . . . 25.0 104.759 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.77 43.49 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 119.011 -1.566 . . . . 25.0 115.411 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -68.56 -177.25 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.793 2.995 . . . . 25.0 113.341 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -64.49 -3.01 2.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.166 -1.379 . . . . 25.0 113.718 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -135.79 158.25 44.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 mt 63.63 -165.23 0.24 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.266 1.026 . . . . 25.0 108.938 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.37 -100.29 1.92 Allowed Glycine 0 C--O 1.218 -0.863 0 CA-C-O 121.592 0.551 . . . . 25.0 112.341 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -127.19 64.86 62.95 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.94 -17.79 28.41 Favored 'Trans proline' 0 C--N 1.352 0.748 0 N-CA-C 115.82 1.431 . . . . 25.0 115.82 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.9 m -93.45 117.52 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.852 0.358 . . . . 25.0 111.721 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.09 133.55 35.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 171.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 132.88 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 103.839 -2.652 . . . . 25.0 103.839 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.41 151.37 19.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 -168.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -117.22 154.7 30.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.455 -1.248 . . . . 25.0 108.62 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.251 1.177 0 N-CA-C 102.522 -3.14 . . . . 25.0 102.522 176.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.164 0 CA-C-O 118.591 -1.116 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 55.23 41.8 31.06 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.647 0.737 . . . . 25.0 111.963 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.47 -12.71 54.82 Favored Glycine 0 C--O 1.224 -0.494 0 CA-C-N 115.548 -0.751 . . . . 25.0 114.593 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.74 144.52 29.75 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 117.838 0.819 . . . . 25.0 113.134 -177.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -72.21 143.12 76.18 Favored 'Cis proline' 0 C--N 1.354 0.817 0 CA-C-N 118.04 0.336 . . . . 25.0 111.851 -1.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.71 -68.03 0.45 Allowed Glycine 0 C--O 1.224 -0.511 0 N-CA-C 110.898 -0.881 . . . . 25.0 110.898 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -121.64 120.54 35.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -21.84 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.815 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -67.96 -47.74 67.78 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.75 -0.593 . . . . 25.0 111.397 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.55 -35.22 78.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 25.0 110.315 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.26 -41.22 97.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.148 0.499 . . . . 25.0 109.84 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.08 -44.63 91.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 25.0 110.839 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.61 -43.73 93.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.08 0.4 . . . . 25.0 110.665 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.209 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 m -63.86 -43.24 96.69 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.6 mtp85 -63.08 -34.61 77.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.072 -0.393 . . . . 25.0 110.804 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.12 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.879 0.325 . . . . 25.0 111.879 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.71 -17.51 62.82 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.26 130.11 1.21 Allowed Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.651 -0.785 . . . . 25.0 111.684 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.46 -13.01 57.73 Favored Glycine 0 C--O 1.22 -0.75 0 N-CA-C 116.306 1.282 . . . . 25.0 116.306 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.82 -23.57 77.83 Favored Glycine 0 C--O 1.224 -0.525 0 N-CA-C 110.411 -1.076 . . . . 25.0 110.411 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -80.55 127.9 32.97 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -89.23 -18.14 27.66 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.06 0.457 . . . . 25.0 109.867 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.0 -149.25 9.79 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.258 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.08 168.3 39.73 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.487 -0.645 . . . . 25.0 111.487 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -131.52 169.12 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -114.52 136.58 52.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.829 0.347 . . . . 25.0 110.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.61 -171.94 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.96 41.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.035 -1.555 . . . . 25.0 114.863 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -67.78 -178.37 1.59 Allowed 'Trans proline' 0 CA--C 1.514 -0.487 0 C-N-CA 123.368 2.712 . . . . 25.0 112.736 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -66.39 0.59 2.06 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.347 -1.297 . . . . 25.0 113.184 173.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -139.29 162.85 33.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt 63.88 -167.31 0.22 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.325 1.05 . . . . 25.0 109.389 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.4 -104.5 2.15 Favored Glycine 0 C--O 1.221 -0.719 0 C-N-CA 121.384 -0.436 . . . . 25.0 112.363 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -125.27 63.7 43.68 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -73.39 -17.61 23.82 Favored 'Trans proline' 0 C--N 1.354 0.85 0 N-CA-C 116.086 1.533 . . . . 25.0 116.086 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -91.5 119.08 31.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.841 0.353 . . . . 25.0 111.363 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -81.1 129.81 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.579 -1.637 . . . . 25.0 106.579 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -124.76 129.91 51.38 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 103.709 -2.7 . . . . 25.0 103.709 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.7 m -96.4 153.51 17.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -166.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 t -121.26 153.72 37.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.979 -1.009 . . . . 25.0 108.908 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--O 1.252 1.194 0 N-CA-C 103.603 -2.74 . . . . 25.0 103.603 179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.097 0 CA-C-O 118.544 -1.142 . . . . 25.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 54.67 41.63 31.8 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.669 0.747 . . . . 25.0 111.687 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.8 -19.23 38.66 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-N 115.117 -0.947 . . . . 25.0 114.281 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.77 147.75 34.32 Favored Pre-proline 0 C--O 1.242 0.685 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -177.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.31 136.28 42.63 Favored 'Cis proline' 0 C--N 1.353 0.786 0 N-CA-C 113.996 0.729 . . . . 25.0 113.996 0.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.52 -67.93 0.52 Allowed Glycine 0 C--O 1.225 -0.427 0 N-CA-C 110.549 -1.02 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -98.55 91.49 5.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.964 0.887 . . . . 25.0 111.561 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.6 -23.99 61.82 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.637 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.18 -43.62 67.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.004 -0.435 . . . . 25.0 109.955 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -62.53 -36.25 82.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.162 0.506 . . . . 25.0 110.245 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.67 -41.19 98.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.277 0.561 . . . . 25.0 110.032 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -65.49 -44.2 87.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.476 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.62 -41.01 96.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.031 0.378 . . . . 25.0 110.783 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -59.08 -47.44 85.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 m -64.17 -44.52 91.84 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -61.79 -34.44 75.89 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.072 -0.392 . . . . 25.0 111.301 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.38 71.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.43 -17.5 62.38 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.205 -0.309 . . . . 25.0 111.786 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.89 131.84 1.36 Allowed Glycine 0 C--O 1.219 -0.811 0 C-N-CA 120.636 -0.792 . . . . 25.0 112.302 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.06 -11.57 58.81 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 116.002 1.161 . . . . 25.0 116.002 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.37 77.67 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.0 -1.24 . . . . 25.0 110.0 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -81.7 126.65 32.04 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -77.01 -25.39 52.57 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.691 0.758 . . . . 25.0 110.082 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.26 -147.39 11.04 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.026 -1.23 . . . . 25.0 110.026 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.71 162.99 34.41 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -131.0 158.87 39.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.7 m -102.69 132.49 48.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.404 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.82 -175.34 4.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 104.7 -2.333 . . . . 25.0 104.7 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.3 -177.2 42.36 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.271 -1.443 . . . . 25.0 112.853 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -67.61 -179.49 2.02 Favored 'Trans proline' 0 C--O 1.219 -0.459 0 C-N-CA 122.665 2.244 . . . . 25.0 113.022 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -66.58 -2.91 5.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.377 -1.283 . . . . 25.0 112.784 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -134.81 162.02 33.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.034 -1.469 . . . . 25.0 107.034 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 mt 63.83 -162.47 0.28 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.154 0.982 . . . . 25.0 108.674 -172.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.32 -110.63 3.34 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.829 -0.509 . . . . 25.0 111.829 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -123.63 63.29 26.93 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 113.671 0.989 . . . . 25.0 113.671 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -73.01 -18.27 24.25 Favored 'Trans proline' 0 C--N 1.353 0.773 0 N-CA-C 115.523 1.316 . . . . 25.0 115.523 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -89.19 114.84 26.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.241 0.544 . . . . 25.0 111.29 -173.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.05 125.08 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.532 -1.655 . . . . 25.0 106.532 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -119.13 131.03 55.86 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 104.453 -2.425 . . . . 25.0 104.453 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -96.27 143.96 26.88 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.134 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -106.11 155.84 19.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.059 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.256 1.416 0 N-CA-C 103.641 -2.726 . . . . 25.0 103.641 176.739 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 CA-C-O 118.339 -1.256 . . . . 25.0 111.327 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 54.32 46.06 25.93 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 117.984 0.892 . . . . 25.0 112.057 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.66 -14.46 51.64 Favored Glycine 0 C--O 1.224 -0.51 0 CA-C-N 115.709 -0.678 . . . . 25.0 114.504 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -108.39 143.68 27.95 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.08 145.88 84.46 Favored 'Cis proline' 0 C--N 1.352 0.735 0 CA-C-N 117.971 0.311 . . . . 25.0 111.903 -2.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.88 -67.11 0.51 Allowed Glycine 0 CA--C 1.51 -0.279 0 N-CA-C 109.829 -1.308 . . . . 25.0 109.829 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.66 119.88 30.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.573 0.701 . . . . 25.0 112.193 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.78 -20.42 46.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.844 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.77 -45.59 74.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.681 -0.637 . . . . 25.0 111.325 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -61.98 -34.99 77.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 25.0 110.612 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.92 -41.36 97.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.389 0.614 . . . . 25.0 109.839 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.59 -43.9 92.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.204 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.84 -42.46 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.038 -0.414 . . . . 25.0 110.908 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -58.95 -47.73 84.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.55 -44.28 94.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.36 -35.46 77.52 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.098 -0.376 . . . . 25.0 111.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -30.95 71.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -17.73 64.01 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.027 0.38 . . . . 25.0 112.027 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.74 131.41 1.37 Allowed Glycine 0 C--O 1.22 -0.766 0 C-N-CA 120.215 -0.993 . . . . 25.0 112.246 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.34 -14.64 54.77 Favored Glycine 0 C--O 1.22 -0.754 0 N-CA-C 116.085 1.194 . . . . 25.0 116.085 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.98 -24.0 77.18 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 110.569 -1.012 . . . . 25.0 110.569 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -81.47 127.21 32.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.5 p -93.8 -14.25 26.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 -153.4 13.0 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.843 -0.694 . . . . 25.0 112.685 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.6 165.66 39.02 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.571 -1.412 . . . . 25.0 109.571 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -134.46 164.54 27.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.737 -1.209 . . . . 25.0 107.737 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.1 m -109.07 139.01 44.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.996 -0.372 . . . . 25.0 109.996 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.67 -171.69 3.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.97 -178.15 45.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.014 -1.565 . . . . 25.0 114.942 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.65 -175.59 0.95 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.891 3.061 . . . . 25.0 113.77 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -63.2 -2.84 1.51 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.133 -1.394 . . . . 25.0 114.285 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -138.08 160.56 39.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt 64.45 -164.66 0.25 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.669 1.188 . . . . 25.0 108.725 -173.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.06 -99.49 1.85 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.992 -0.623 . . . . 25.0 111.999 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -128.75 65.11 71.77 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 122.297 -0.531 . . . . 25.0 112.227 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.81 -19.23 27.59 Favored 'Trans proline' 0 C--N 1.354 0.851 0 N-CA-C 116.376 1.644 . . . . 25.0 116.376 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.3 m -92.81 117.64 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.508 -173.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.05 134.39 35.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.4 m -129.66 133.75 47.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 104.483 -2.414 . . . . 25.0 104.483 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.43 152.37 18.68 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.081 -0.648 . . . . 25.0 112.111 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t -121.15 154.26 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.878 -1.055 . . . . 25.0 108.765 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.256 1.421 0 N-CA-C 102.618 -3.105 . . . . 25.0 102.618 177.734 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 118.5 -1.167 . . . . 25.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 54.93 45.98 25.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.803 0.811 . . . . 25.0 111.479 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.25 -24.12 17.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.0 -1.0 . . . . 25.0 113.058 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.98 146.1 30.91 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -177.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.4 132.3 25.25 Favored 'Cis proline' 0 C--N 1.351 0.705 0 N-CA-C 113.723 0.624 . . . . 25.0 113.723 0.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.15 -68.15 0.49 Allowed Glycine 0 C--O 1.226 -0.376 0 N-CA-C 111.571 -0.612 . . . . 25.0 111.571 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.65 98.44 9.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.779 0.8 . . . . 25.0 112.071 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.11 -23.78 61.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.017 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -71.34 -44.31 65.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.922 -0.486 . . . . 25.0 110.239 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -34.22 77.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 25.0 110.046 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.58 -40.44 95.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.116 0.484 . . . . 25.0 110.27 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -63.46 -42.36 98.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.548 -0.296 . . . . 25.0 110.729 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.32 -42.81 99.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.19 -0.319 . . . . 25.0 110.679 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.0 -45.14 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.723 0.297 . . . . 25.0 110.565 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 m -62.37 -44.46 96.42 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.003 -0.436 . . . . 25.0 111.483 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -61.51 -36.16 79.74 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.259 -0.276 . . . . 25.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.34 71.88 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.08 -18.33 64.64 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.46 132.74 1.6 Allowed Glycine 0 C--O 1.219 -0.785 0 C-N-CA 120.407 -0.902 . . . . 25.0 111.945 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.85 -13.73 57.21 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 115.453 0.941 . . . . 25.0 115.453 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.72 -22.65 78.9 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -84.05 126.95 33.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.8 p -92.39 -15.37 27.33 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.491 -0.322 . . . . 25.0 110.515 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.38 -154.47 14.74 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.017 -0.611 . . . . 25.0 112.387 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.9 165.17 36.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.049 -0.596 . . . . 25.0 111.655 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -135.02 172.8 12.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.551 -1.277 . . . . 25.0 107.551 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -112.98 147.66 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.74 -170.71 3.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 103.559 -2.756 . . . . 25.0 103.559 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.5 174.04 39.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 119.158 -1.496 . . . . 25.0 115.004 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -68.37 -176.48 1.12 Allowed 'Trans proline' 0 CA--C 1.514 -0.486 0 C-N-CA 122.888 2.392 . . . . 25.0 113.073 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.46 0.48 1.51 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.009 -1.45 . . . . 25.0 113.459 172.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -138.44 158.53 44.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.2 mt 64.15 -168.11 0.21 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.413 1.085 . . . . 25.0 110.485 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.57 -103.42 1.96 Allowed Glycine 0 C--O 1.218 -0.864 0 C-N-CA 121.493 -0.385 . . . . 25.0 112.576 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -123.69 61.56 22.81 Favored Pre-proline 0 CA--C 1.545 0.762 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -75.52 -18.02 17.97 Favored 'Trans proline' 0 C--N 1.353 0.799 0 N-CA-C 115.607 1.349 . . . . 25.0 115.607 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.2 m -86.06 122.68 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.93 0.395 . . . . 25.0 111.892 -173.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.05 128.62 33.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 171.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 m -120.22 125.32 47.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 104.143 -2.54 . . . . 25.0 104.143 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.3 m -97.53 150.35 21.19 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.985 -0.686 . . . . 25.0 112.828 -166.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -116.31 143.6 45.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.649 -1.159 . . . . 25.0 107.993 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.247 0.96 0 N-CA-C 103.834 -2.654 . . . . 25.0 103.834 177.857 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 118.597 -1.113 . . . . 25.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 56.57 41.85 28.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.701 0.762 . . . . 25.0 111.645 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.42 -24.23 20.78 Favored Glycine 0 CA--C 1.511 -0.215 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.088 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 148.06 33.91 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 112.652 0.612 . . . . 25.0 112.652 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.28 134.04 32.17 Favored 'Cis proline' 0 C--N 1.35 0.655 0 N-CA-C 114.021 0.739 . . . . 25.0 114.021 -0.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.49 -67.21 0.54 Allowed Glycine 0 C--O 1.225 -0.424 0 N-CA-C 110.577 -1.009 . . . . 25.0 110.577 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.88 90.72 5.33 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.146 0.974 . . . . 25.0 112.114 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.06 61.68 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.318 -0.855 . . . . 25.0 111.479 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -68.33 -45.61 72.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -63.72 -35.65 81.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.037 0.446 . . . . 25.0 110.924 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.1 t -63.4 -41.4 98.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.177 0.513 . . . . 25.0 109.94 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -64.32 -44.52 91.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.837 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.77 -40.62 95.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.236 -0.29 . . . . 25.0 111.103 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -61.55 -46.52 89.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.599 0.238 . . . . 25.0 110.399 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.79 -43.67 98.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.04 -0.413 . . . . 25.0 111.182 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.36 -35.86 78.6 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.098 -0.376 . . . . 25.0 111.277 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.02 71.69 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.073 0.397 . . . . 25.0 112.073 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.8 -17.73 64.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.718 0.294 . . . . 25.0 111.589 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.85 127.28 0.93 Allowed Glycine 0 C--O 1.218 -0.892 0 N-CA-C 110.874 -0.89 . . . . 25.0 110.874 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.42 -11.31 52.38 Favored Glycine 0 C--O 1.22 -0.779 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.15 -22.97 78.54 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 110.371 -1.092 . . . . 25.0 110.371 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -79.52 128.26 33.15 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.8 p -81.77 -22.21 37.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.386 0.612 . . . . 25.0 109.927 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.9 -147.76 10.34 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.321 -0.854 . . . . 25.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.75 165.71 39.05 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.282 -0.727 . . . . 25.0 111.282 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -133.28 166.87 21.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -113.33 140.13 48.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.537 0.208 . . . . 25.0 111.262 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.91 -171.13 3.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.423 -2.066 . . . . 25.0 105.423 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.52 -175.29 41.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.608 -1.282 . . . . 25.0 112.727 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -67.82 -179.02 1.85 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 122.917 2.412 . . . . 25.0 113.134 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -65.45 -3.11 3.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.535 -1.211 . . . . 25.0 112.938 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -132.17 156.19 46.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 mt 66.3 -172.94 0.19 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.548 1.139 . . . . 25.0 109.386 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.31 -105.01 1.86 Allowed Glycine 0 C--O 1.219 -0.818 0 C-N-CA 121.174 -0.536 . . . . 25.0 112.432 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -123.16 62.51 20.52 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -71.04 -20.53 28.73 Favored 'Trans proline' 0 C--N 1.351 0.702 0 N-CA-C 115.308 1.234 . . . . 25.0 115.308 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -92.94 115.94 28.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.128 0.49 . . . . 25.0 112.034 -172.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.04 132.05 35.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.3 m -126.96 132.91 50.72 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 104.58 -2.378 . . . . 25.0 104.58 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.85 152.08 19.04 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.107 -0.637 . . . . 25.0 112.43 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -117.43 154.65 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 25.0 108.459 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.254 1.342 0 N-CA-C 103.661 -2.718 . . . . 25.0 103.661 177.233 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.011 0 CA-C-O 118.787 -1.007 . . . . 25.0 111.419 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 55.19 43.19 29.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.585 0.707 . . . . 25.0 111.94 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.72 -20.04 25.92 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.409 -0.814 . . . . 25.0 113.878 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.43 145.61 30.9 Favored Pre-proline 0 C--O 1.242 0.687 0 O-C-N 122.262 -0.552 . . . . 25.0 111.618 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.53 137.7 51.7 Favored 'Cis proline' 0 C--N 1.353 0.79 0 N-CA-C 114.067 0.757 . . . . 25.0 114.067 -0.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.25 -64.61 0.61 Allowed Glycine 0 C--O 1.227 -0.339 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.5 90.66 5.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.144 0.973 . . . . 25.0 111.068 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -18.95 60.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.319 -0.855 . . . . 25.0 111.508 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -72.36 -45.2 60.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.291 0.567 . . . . 25.0 110.267 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.75 -41.72 97.97 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.341 0.591 . . . . 25.0 110.005 175.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -64.42 -43.76 93.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.973 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.65 -42.02 96.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.872 0.305 . . . . 25.0 110.858 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -58.52 -47.96 82.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.809 0.337 . . . . 25.0 110.282 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 m -64.37 -44.53 91.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.974 0.361 . . . . 25.0 111.974 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -61.9 -33.81 74.9 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.008 -0.433 . . . . 25.0 111.36 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.56 72.83 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.704 0.261 . . . . 25.0 111.704 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.65 -15.87 62.24 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.785 0.291 . . . . 25.0 111.785 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.43 131.97 1.4 Allowed Glycine 0 C--O 1.219 -0.823 0 C-N-CA 120.58 -0.819 . . . . 25.0 112.586 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.63 -12.41 61.67 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 115.146 0.818 . . . . 25.0 115.146 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.3 -21.93 78.55 Favored Glycine 0 C--O 1.22 -0.764 0 N-CA-C 110.498 -1.041 . . . . 25.0 110.498 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -81.42 126.05 31.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -79.28 -25.24 42.49 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.409 0.623 . . . . 25.0 109.918 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.99 -145.99 9.32 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.681 -0.968 . . . . 25.0 110.681 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.48 166.18 36.47 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.603 -0.599 . . . . 25.0 111.603 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -127.45 168.6 14.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.595 -1.631 . . . . 25.0 106.595 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -119.02 140.7 49.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.722 0.296 . . . . 25.0 110.307 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.18 -171.87 3.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.294 -2.484 . . . . 25.0 104.294 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.08 -177.19 41.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 118.971 -1.585 . . . . 25.0 114.724 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.66 -177.99 1.41 Allowed 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 123.5 2.8 . . . . 25.0 113.175 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.17 0.62 1.9 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.17 -1.377 . . . . 25.0 113.272 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -139.9 161.58 37.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.6 mt 62.99 -164.37 0.25 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.234 1.014 . . . . 25.0 109.308 -173.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.62 -104.56 2.33 Favored Glycine 0 C--O 1.222 -0.655 0 C-N-CA 121.236 -0.506 . . . . 25.0 112.699 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -125.45 63.51 44.42 Favored Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.828 1.047 . . . . 25.0 113.828 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.21 -17.83 27.41 Favored 'Trans proline' 0 C--N 1.353 0.779 0 N-CA-C 115.972 1.489 . . . . 25.0 115.972 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -91.37 119.11 31.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.832 0.349 . . . . 25.0 111.653 -173.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -81.01 136.0 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -130.54 133.36 46.17 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 104.156 -2.535 . . . . 25.0 104.156 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.09 148.53 22.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.732 0.641 . . . . 25.0 112.732 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -110.48 155.13 22.67 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.829 -1.078 . . . . 25.0 108.714 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.255 1.392 0 N-CA-C 103.213 -2.884 . . . . 25.0 103.213 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.98 0 CA-C-O 118.496 -1.169 . . . . 25.0 111.169 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 54.87 50.0 16.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 117.69 0.745 . . . . 25.0 111.548 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.95 -24.01 14.92 Favored Glycine 0 C--O 1.226 -0.369 0 CA-C-N 115.607 -0.724 . . . . 25.0 112.946 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 146.91 33.63 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.13 139.09 56.34 Favored 'Cis proline' 0 C--N 1.354 0.849 0 N-CA-C 112.978 0.338 . . . . 25.0 112.978 -1.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.43 -66.73 0.52 Allowed Glycine 0 C--O 1.223 -0.534 0 N-CA-C 110.799 -0.92 . . . . 25.0 110.799 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -117.79 128.45 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.329 0.585 . . . . 25.0 112.441 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.04 -13.88 32.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.181 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -66.5 -50.29 63.74 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.662 -0.649 . . . . 25.0 111.034 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.61 -29.36 69.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.24 0.543 . . . . 25.0 110.586 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.83 -41.56 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -64.62 -44.35 90.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.042 -0.527 . . . . 25.0 110.704 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.22 -43.26 92.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.194 -0.316 . . . . 25.0 110.985 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -61.49 -47.12 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.619 0.247 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 m -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.883 -0.327 . . . . 25.0 111.662 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -61.65 -37.41 83.91 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.261 -0.275 . . . . 25.0 111.03 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -30.94 71.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.63 -17.48 63.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.91 132.79 1.57 Allowed Glycine 0 C--O 1.216 -0.975 0 C-N-CA 120.595 -0.812 . . . . 25.0 112.091 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.52 -14.71 58.12 Favored Glycine 0 C--O 1.221 -0.702 0 N-CA-C 116.478 1.351 . . . . 25.0 116.478 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.4 -22.94 78.68 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 110.67 -0.972 . . . . 25.0 110.67 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -82.07 128.12 33.8 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.8 p -90.13 -17.98 26.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 25.0 109.981 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -150.07 12.6 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 111.25 -0.74 . . . . 25.0 111.25 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.35 167.65 40.65 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.553 -0.619 . . . . 25.0 111.553 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -130.78 163.08 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.556 -1.276 . . . . 25.0 107.556 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 m -101.96 142.29 33.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.737 0.273 . . . . 25.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 -175.37 4.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.118 -2.179 . . . . 25.0 105.118 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.88 179.52 42.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 119.181 -1.485 . . . . 25.0 114.322 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.39 -176.34 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 124.069 3.179 . . . . 25.0 113.785 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -64.0 -2.95 2.2 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.018 -1.447 . . . . 25.0 113.08 172.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -138.14 160.62 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 63.34 -163.98 0.26 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.032 . . . . 25.0 109.409 -174.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.69 -106.69 2.5 Favored Glycine 0 C--O 1.218 -0.872 0 C-N-CA 121.247 -0.501 . . . . 25.0 112.228 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -124.37 64.23 37.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -72.46 -17.97 26.43 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.412 1.274 . . . . 25.0 115.412 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.7 m -90.89 124.74 35.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.041 0.448 . . . . 25.0 111.376 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.5 m -87.57 124.12 33.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.7 m -114.61 130.37 56.78 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.482 -2.414 . . . . 25.0 104.482 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 59.9 m -96.28 151.09 19.84 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -167.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t -114.7 148.35 38.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.679 -1.146 . . . . 25.0 109.351 -175.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 C--O 1.243 0.738 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 177.836 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 CA-C-O 118.959 -0.912 . . . . 25.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 55.07 41.07 32.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.556 0.693 . . . . 25.0 112.351 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.51 -22.2 21.74 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.386 -0.825 . . . . 25.0 113.866 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.75 148.05 34.49 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -175.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.87 138.87 58.28 Favored 'Cis proline' 0 C--N 1.356 0.947 0 CA-C-N 118.076 0.349 . . . . 25.0 112.306 -2.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.83 -67.57 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 109.736 -1.346 . . . . 25.0 109.736 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -107.94 112.86 25.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.707 0.765 . . . . 25.0 112.53 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.28 -17.21 50.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.191 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.56 -50.71 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.04 -0.412 . . . . 25.0 111.405 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.35 -32.4 73.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.028 -0.36 . . . . 25.0 110.028 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.36 -42.27 98.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.374 0.607 . . . . 25.0 110.052 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -65.79 -45.13 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.854 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.36 -39.59 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.145 -0.347 . . . . 25.0 111.21 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.85 -46.65 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.468 . . . . 25.0 109.738 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.9 -44.38 89.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.11 0.411 . . . . 25.0 112.11 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -61.82 -33.21 73.73 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.112 -0.368 . . . . 25.0 111.261 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.21 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.53 -16.89 62.34 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.812 0.339 . . . . 25.0 111.251 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.5 129.63 1.18 Allowed Glycine 0 C--O 1.218 -0.849 0 C-N-CA 120.849 -0.691 . . . . 25.0 111.479 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -14.3 57.38 Favored Glycine 0 C--O 1.222 -0.633 0 N-CA-C 115.794 1.077 . . . . 25.0 115.794 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.62 -23.03 78.62 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 110.896 -0.882 . . . . 25.0 110.896 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -77.69 127.91 33.22 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.75 -18.08 30.22 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.14 0.495 . . . . 25.0 110.102 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.14 -149.17 10.97 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.234 -0.746 . . . . 25.0 111.234 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.07 166.76 38.9 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.829 -0.908 . . . . 25.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.02 164.22 23.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -107.29 132.54 52.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.673 0.273 . . . . 25.0 110.772 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.22 -177.11 4.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -174.47 41.3 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.016 -1.564 . . . . 25.0 113.919 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -68.24 179.03 3.15 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.441 2.094 . . . . 25.0 113.308 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -67.96 1.21 2.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.62 -1.173 . . . . 25.0 113.25 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -139.2 163.74 31.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 mt 62.06 -153.92 0.35 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.976 0.91 . . . . 25.0 108.632 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.29 -114.83 4.0 Favored Glycine 0 C--O 1.219 -0.789 0 N-CA-C 111.669 -0.572 . . . . 25.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -125.27 66.44 52.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.35 -14.6 28.2 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 116.258 1.599 . . . . 25.0 116.258 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.5 m -94.31 118.34 31.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.946 0.403 . . . . 25.0 111.527 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.17 131.94 35.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 173.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.4 m -125.92 131.66 52.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 103.653 -2.721 . . . . 25.0 103.653 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.07 151.43 19.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 -166.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -117.2 154.91 30.31 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.714 -1.13 . . . . 25.0 109.299 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.255 1.379 0 N-CA-C 101.957 -3.349 . . . . 25.0 101.957 175.098 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 CA-C-O 118.455 -1.192 . . . . 25.0 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 55.37 45.6 25.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 117.883 0.842 . . . . 25.0 111.712 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.31 -21.29 21.87 Favored Glycine 0 C--O 1.225 -0.407 0 CA-C-N 115.454 -0.793 . . . . 25.0 113.661 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.94 145.73 31.28 Favored Pre-proline 0 C--O 1.242 0.702 0 N-CA-C 114.631 1.345 . . . . 25.0 114.631 -175.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.05 142.9 75.35 Favored 'Cis proline' 0 C--N 1.353 0.787 0 CA-C-N 117.92 0.293 . . . . 25.0 112.703 -2.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.63 -66.95 0.52 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 110.126 -1.189 . . . . 25.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -117.14 129.51 56.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.339 0.59 . . . . 25.0 111.89 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.03 -17.52 26.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.916 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -66.57 -48.64 68.96 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 121.791 -0.568 . . . . 25.0 111.271 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.62 -29.1 70.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.035 0.445 . . . . 25.0 110.572 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.77 -41.17 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.503 0.668 . . . . 25.0 109.382 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -65.39 -43.2 91.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 25.0 110.977 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.81 -43.45 94.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 25.0 110.553 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.9 -47.09 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.384 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.41 -44.14 95.47 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 122.01 -0.431 . . . . 25.0 112.092 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -62.38 -35.96 80.78 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.01 -0.431 . . . . 25.0 111.003 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.755 0.28 . . . . 25.0 111.755 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.18 -16.61 62.54 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.15 134.32 1.93 Allowed Glycine 0 C--O 1.217 -0.944 0 C-N-CA 120.073 -1.06 . . . . 25.0 112.945 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.11 -15.26 62.72 Favored Glycine 0 C--O 1.216 -0.997 0 N-CA-C 115.389 0.916 . . . . 25.0 115.389 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.86 -22.54 76.76 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 110.792 -0.923 . . . . 25.0 110.792 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -80.81 125.97 30.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 p -90.56 -17.62 26.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.979 -0.555 . . . . 25.0 110.347 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.45 -154.99 17.88 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.429 -0.668 . . . . 25.0 111.429 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 163.58 37.24 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.13 -0.788 . . . . 25.0 111.13 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -134.52 165.47 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.8 m -101.93 145.7 28.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.53 -176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 104.992 -2.225 . . . . 25.0 104.992 176.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.77 -176.82 43.4 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 119.39 -1.386 . . . . 25.0 114.148 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.88 -179.21 2.38 Favored 'Trans proline' 0 C--O 1.216 -0.585 0 C-N-CA 122.804 2.336 . . . . 25.0 113.488 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -66.77 -2.95 5.65 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.492 -1.231 . . . . 25.0 113.054 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -136.93 162.96 31.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.4 mt 64.62 -159.9 0.29 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.29 1.036 . . . . 25.0 108.375 -172.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.03 -112.56 3.53 Favored Glycine 0 C--O 1.222 -0.636 0 N-CA-C 111.688 -0.565 . . . . 25.0 111.688 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -124.65 65.44 43.92 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.47 -15.73 27.66 Favored 'Trans proline' 0 C--N 1.353 0.783 0 N-CA-C 115.988 1.495 . . . . 25.0 115.988 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -92.62 120.11 32.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.33 133.12 35.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.1 m -125.42 131.8 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.16 -2.534 . . . . 25.0 104.16 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -97.02 152.1 19.07 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.507 0.928 . . . . 25.0 113.507 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -114.56 152.01 32.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.634 -1.167 . . . . 25.0 107.968 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.255 1.363 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 178.769 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 CA-C-O 118.53 -1.15 . . . . 25.0 111.353 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 55.02 45.13 26.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 117.778 0.789 . . . . 25.0 112.051 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.77 -15.11 49.26 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 115.81 -0.632 . . . . 25.0 114.346 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 146.44 34.06 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.44 140.5 62.99 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.975 0.312 . . . . 25.0 112.604 -1.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.0 -68.36 0.44 Allowed Glycine 0 C--O 1.223 -0.546 0 N-CA-C 110.838 -0.905 . . . . 25.0 110.838 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -120.65 126.05 49.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.392 0.615 . . . . 25.0 112.654 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.56 -18.37 33.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.822 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.66 -48.13 67.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.753 -0.592 . . . . 25.0 111.202 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.59 -32.22 73.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.846 -0.533 . . . . 25.0 110.465 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.67 -41.24 98.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 t -64.33 -43.41 94.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.031 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.18 -42.78 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 118.104 0.411 . . . . 25.0 110.602 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.8 -46.68 88.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.318 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.6 m -64.24 -43.17 95.75 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.338 0.496 . . . . 25.0 112.338 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -62.49 -34.23 76.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 25.0 110.953 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.08 72.04 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.28 -17.07 63.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.848 0.356 . . . . 25.0 111.66 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.16 129.81 1.13 Allowed Glycine 0 C--O 1.217 -0.923 0 C-N-CA 120.754 -0.736 . . . . 25.0 111.266 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 -12.53 58.49 Favored Glycine 0 C--O 1.22 -0.737 0 N-CA-C 115.471 0.949 . . . . 25.0 115.471 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.78 -23.65 76.73 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 110.011 -1.235 . . . . 25.0 110.011 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -82.27 126.68 32.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p -86.83 -17.78 32.57 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.14 0.495 . . . . 25.0 109.827 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.75 -150.57 10.92 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.747 -0.661 . . . . 25.0 112.2 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.27 165.42 38.71 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -135.46 163.57 29.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.2 m -102.85 143.49 32.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.68 -174.29 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.949 -2.241 . . . . 25.0 104.949 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.1 178.4 44.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 118.776 -1.678 . . . . 25.0 114.568 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -68.52 -178.27 1.81 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.703 2.936 . . . . 25.0 113.171 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -66.29 0.32 2.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.461 -1.245 . . . . 25.0 113.439 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -134.22 154.46 51.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 64.78 -167.95 0.21 Allowed 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.444 1.09 . . . . 25.0 109.448 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.71 -101.74 1.89 Allowed Glycine 0 C--O 1.221 -0.695 0 C-N-CA 121.115 -0.564 . . . . 25.0 111.861 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -123.74 64.16 30.77 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.07 -18.48 30.89 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.541 1.324 . . . . 25.0 115.541 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.3 m -92.48 125.47 37.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.926 0.393 . . . . 25.0 111.516 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.03 128.75 35.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 171.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 m -119.47 130.98 55.51 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.567 -2.383 . . . . 25.0 104.567 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.22 151.1 19.82 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.028 -0.669 . . . . 25.0 112.033 -169.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 t -118.52 149.3 41.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.801 -1.09 . . . . 25.0 108.241 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 C--O 1.25 1.11 0 N-CA-C 103.19 -2.892 . . . . 25.0 103.19 176.814 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 CA-C-O 118.238 -1.312 . . . . 25.0 111.159 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 54.13 50.61 16.16 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 117.859 0.83 . . . . 25.0 111.864 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.72 -17.14 27.51 Favored Glycine 0 C--O 1.226 -0.403 0 CA-C-N 115.488 -0.778 . . . . 25.0 114.021 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 144.01 28.32 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.22 1.193 . . . . 25.0 114.22 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.35 144.74 81.43 Favored 'Cis proline' 0 C--N 1.354 0.86 0 CA-C-N 118.059 0.342 . . . . 25.0 112.637 -1.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.14 -66.82 0.52 Allowed Glycine 0 C--O 1.226 -0.399 0 N-CA-C 110.664 -0.975 . . . . 25.0 110.664 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.22 123.21 37.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.47 0.652 . . . . 25.0 111.906 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.2 -12.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.034 -0.53 . . . . 25.0 112.334 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -64.8 -47.79 76.77 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.828 -0.545 . . . . 25.0 110.71 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.47 -29.71 69.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.41 -0.516 . . . . 25.0 111.194 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.12 -39.46 89.94 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.679 -0.638 . . . . 25.0 109.497 175.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -64.34 -43.49 94.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.826 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.28 -42.04 94.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.831 0.348 . . . . 25.0 110.557 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -60.7 -46.37 90.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.693 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 m -64.68 -42.03 95.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.173 0.435 . . . . 25.0 112.173 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -62.98 -34.44 77.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.991 -0.443 . . . . 25.0 111.389 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.51 70.07 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.774 0.321 . . . . 25.0 111.616 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -75.18 -11.82 60.16 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 122.156 -0.34 . . . . 25.0 111.903 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.0 131.56 1.34 Allowed Glycine 0 C--O 1.214 -1.117 0 C-N-CA 120.485 -0.864 . . . . 25.0 111.944 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.53 -15.78 64.42 Favored Glycine 0 C--O 1.222 -0.625 0 C-N-CA 121.026 -0.607 . . . . 25.0 114.549 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.56 -26.49 74.02 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.247 -1.141 . . . . 25.0 110.247 175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -79.01 124.93 28.74 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 106.502 -1.666 . . . . 25.0 106.502 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.5 p -90.87 -16.67 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.67 -152.24 11.68 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.708 -0.678 . . . . 25.0 112.297 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.41 166.47 39.72 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.408 -0.677 . . . . 25.0 111.408 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -132.05 168.85 17.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -111.21 142.87 42.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.78 0.324 . . . . 25.0 111.253 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.06 -177.09 5.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.26 39.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 119.165 -1.493 . . . . 25.0 114.317 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -69.68 -178.84 2.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.961 3.107 . . . . 25.0 114.779 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -65.02 -3.07 3.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.263 -1.335 . . . . 25.0 113.599 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -147.06 165.4 30.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt 64.06 -159.02 0.3 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.09 0.956 . . . . 25.0 108.736 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.78 -122.49 4.97 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.247 0.359 . . . . 25.0 112.902 -176.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -122.79 64.03 21.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -74.54 -16.25 21.56 Favored 'Trans proline' 0 C--N 1.352 0.736 0 N-CA-C 115.831 1.435 . . . . 25.0 115.831 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.9 m -85.4 119.28 25.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.004 0.43 . . . . 25.0 111.156 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.1 m -81.63 134.43 35.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 173.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.8 m -127.6 132.98 49.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 104.201 -2.518 . . . . 25.0 104.201 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -97.61 152.24 19.26 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 119.763 -0.775 . . . . 25.0 113.024 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -119.12 154.5 33.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.96 -1.018 . . . . 25.0 108.57 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 102.154 -3.276 . . . . 25.0 102.154 176.185 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 CA-C-O 118.388 -1.229 . . . . 25.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 54.57 48.03 21.33 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.87 0.835 . . . . 25.0 111.707 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.02 -23.0 22.91 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.679 -0.691 . . . . 25.0 113.11 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.37 143.33 26.38 Favored Pre-proline 0 C--O 1.242 0.699 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -177.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.74 144.49 81.14 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.966 0.309 . . . . 25.0 112.592 -1.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -64.42 0.58 Allowed Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.89 -0.884 . . . . 25.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -118.85 126.39 51.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.43 0.633 . . . . 25.0 112.402 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.38 -16.78 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.767 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.0 -48.73 64.95 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.839 -0.538 . . . . 25.0 111.432 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.83 -30.5 71.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.806 -0.559 . . . . 25.0 110.537 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.6 -40.9 96.32 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.627 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.68 -42.85 93.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 118.125 0.421 . . . . 25.0 110.926 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.55 -47.0 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 25.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -64.02 -43.33 95.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -62.88 -34.52 77.57 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.016 -0.428 . . . . 25.0 110.842 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.22 72.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.733 0.272 . . . . 25.0 111.733 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.94 -17.13 62.69 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.23 132.14 1.48 Allowed Glycine 0 C--O 1.217 -0.924 0 C-N-CA 120.67 -0.776 . . . . 25.0 112.148 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.37 -14.75 60.26 Favored Glycine 0 C--O 1.222 -0.613 0 N-CA-C 115.866 1.106 . . . . 25.0 115.866 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.69 -23.22 78.28 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 110.558 -1.017 . . . . 25.0 110.558 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -81.19 125.23 30.02 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.52 -17.79 31.28 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 25.0 109.863 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.5 -150.44 12.06 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.714 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.65 166.85 38.18 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.865 -0.894 . . . . 25.0 110.865 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -131.97 165.18 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -111.71 139.98 46.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.706 0.289 . . . . 25.0 110.836 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.46 -175.54 4.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.9 -176.15 43.89 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.019 -1.562 . . . . 25.0 114.428 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.28 -177.97 1.61 Allowed 'Trans proline' 0 C--O 1.218 -0.491 0 C-N-CA 123.911 3.074 . . . . 25.0 113.743 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -65.0 -3.04 3.09 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.291 -1.322 . . . . 25.0 113.638 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -136.12 161.23 36.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 mt 62.37 -160.79 0.3 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -171.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.75 -103.32 2.6 Favored Glycine 0 C--O 1.221 -0.694 0 N-CA-C 111.389 -0.684 . . . . 25.0 111.389 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -128.22 67.35 74.88 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -71.22 -18.25 30.56 Favored 'Trans proline' 0 C--N 1.349 0.595 0 N-CA-C 115.98 1.492 . . . . 25.0 115.98 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -92.31 115.5 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.432 . . . . 25.0 111.406 -173.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.96 132.3 35.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 174.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.8 m -129.14 134.6 48.12 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.48 -2.415 . . . . 25.0 104.48 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.86 151.01 20.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -168.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -117.08 156.6 27.3 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.75 -1.114 . . . . 25.0 108.605 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 102.446 -3.168 . . . . 25.0 102.446 176.464 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.201 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 55.1 45.55 25.91 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 117.744 0.772 . . . . 25.0 111.853 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.56 -19.8 30.65 Favored Glycine 0 C--O 1.226 -0.401 0 CA-C-N 115.63 -0.714 . . . . 25.0 113.728 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 148.38 36.65 Favored Pre-proline 0 C--O 1.244 0.773 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.13 138.44 52.59 Favored 'Cis proline' 0 C--N 1.352 0.739 0 N-CA-C 112.999 0.346 . . . . 25.0 112.999 -0.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.69 -66.64 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -115.23 127.65 55.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.82 -14.55 31.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.702 -0.681 . . . . 25.0 112.222 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -67.64 -50.52 57.54 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.79 -0.569 . . . . 25.0 111.078 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -66.48 -29.36 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 25.0 110.279 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -64.19 -40.86 96.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 25.0 109.445 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 t -65.99 -44.8 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.659 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -58.91 -43.24 91.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.938 0.336 . . . . 25.0 110.986 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.66 -48.21 82.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.311 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 m -63.81 -43.07 97.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.961 0.356 . . . . 25.0 111.961 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -61.91 -36.2 80.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.138 -0.352 . . . . 25.0 110.912 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.43 72.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.85 -18.52 63.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.038 0.385 . . . . 25.0 112.038 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.91 133.26 1.69 Allowed Glycine 0 C--O 1.217 -0.912 0 C-N-CA 120.537 -0.84 . . . . 25.0 112.346 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -14.07 59.59 Favored Glycine 0 C--O 1.221 -0.677 0 N-CA-C 115.742 1.057 . . . . 25.0 115.742 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.34 -21.75 79.35 Favored Glycine 0 C--O 1.222 -0.646 0 N-CA-C 110.811 -0.916 . . . . 25.0 110.811 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -82.4 126.63 32.42 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -83.47 -21.64 32.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.477 0.656 . . . . 25.0 110.541 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.88 -149.14 12.61 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.641 -0.984 . . . . 25.0 110.641 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.38 165.64 38.76 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -130.93 161.37 32.04 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 m -100.68 140.42 34.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.775 0.321 . . . . 25.0 111.676 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.62 -176.68 5.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 104.794 -2.299 . . . . 25.0 104.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.48 179.09 45.11 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.509 -1.329 . . . . 25.0 113.186 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -68.97 -179.41 2.54 Favored 'Trans proline' 0 C--O 1.219 -0.452 0 C-N-CA 123.131 2.554 . . . . 25.0 113.615 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.91 -3.14 6.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.494 -1.23 . . . . 25.0 112.768 172.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -131.72 154.75 48.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt 65.83 -164.69 0.23 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.434 1.093 . . . . 25.0 108.662 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -99.28 -110.14 3.06 Favored Glycine 0 C--O 1.221 -0.674 0 C-N-CA 121.261 -0.495 . . . . 25.0 112.236 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -123.12 63.26 21.99 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -73.99 -17.94 21.88 Favored 'Trans proline' 0 C--N 1.354 0.817 0 N-CA-C 115.353 1.251 . . . . 25.0 115.353 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -88.7 115.84 26.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.124 0.488 . . . . 25.0 111.543 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.98 128.83 34.14 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 172.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.1 m -121.35 132.38 54.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.65 149.19 22.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.297 0.851 . . . . 25.0 113.297 -167.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -111.73 154.71 24.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.471 -1.24 . . . . 25.0 108.01 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.254 1.341 0 N-CA-C 103.642 -2.725 . . . . 25.0 103.642 177.621 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.086 0 CA-C-O 118.569 -1.128 . . . . 25.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 55.9 46.23 22.48 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.576 0.703 . . . . 25.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.31 -23.12 16.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.384 -0.826 . . . . 25.0 112.828 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.58 152.12 40.62 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.84 124.01 7.82 Favored 'Cis proline' 0 C--N 1.35 0.64 0 N-CA-C 114.573 0.951 . . . . 25.0 114.573 0.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.76 -68.83 0.45 Allowed Glycine 0 C--O 1.229 -0.204 0 CA-C-N 115.985 -0.552 . . . . 25.0 112.231 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -89.99 93.93 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.056 0.931 . . . . 25.0 113.006 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -21.41 62.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.379 -0.828 . . . . 25.0 112.25 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -72.83 -43.62 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.751 -0.593 . . . . 25.0 110.031 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.5 -32.65 74.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 25.0 109.951 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.42 -42.0 98.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.218 0.532 . . . . 25.0 109.99 174.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -62.37 -44.76 95.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.783 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.024 0.375 . . . . 25.0 111.088 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -60.51 -47.4 86.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.324 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 m -63.19 -42.8 99.4 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -62.3 -36.36 81.88 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.343 -0.223 . . . . 25.0 110.967 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.51 71.19 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.69 -18.43 62.82 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.49 133.95 1.73 Allowed Glycine 0 C--O 1.217 -0.946 0 C-N-CA 120.169 -1.015 . . . . 25.0 112.439 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.97 -15.37 60.27 Favored Glycine 0 C--O 1.221 -0.715 0 N-CA-C 116.001 1.16 . . . . 25.0 116.001 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.64 77.63 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 110.767 -0.933 . . . . 25.0 110.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -82.86 125.14 31.0 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.4 p -87.12 -19.69 28.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.18 0.514 . . . . 25.0 110.439 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.15 -150.63 11.84 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.869 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.35 165.79 38.43 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.711 -0.956 . . . . 25.0 110.711 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -138.49 167.17 22.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.694 -1.224 . . . . 25.0 107.694 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -110.48 144.0 39.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.95 -171.85 3.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 104.424 -2.435 . . . . 25.0 104.424 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.55 -179.61 44.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 119.202 -1.475 . . . . 25.0 113.502 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -68.48 -179.26 2.24 Favored 'Trans proline' 0 C--O 1.219 -0.441 0 C-N-CA 123.54 2.827 . . . . 25.0 113.672 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -67.58 -2.95 7.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.443 -1.253 . . . . 25.0 113.002 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -129.26 158.07 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt 63.54 -151.63 0.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 -171.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -121.33 -101.39 1.74 Allowed Glycine 0 C--O 1.219 -0.798 0 C-N-CA 121.309 -0.472 . . . . 25.0 112.293 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -121.22 58.06 7.22 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.12 -20.09 16.98 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 116.65 -1.767 . . . . 25.0 115.271 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.6 m -85.16 118.89 24.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.224 0.535 . . . . 25.0 111.839 -173.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.97 132.05 35.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 m -125.05 131.11 53.4 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 104.806 -2.294 . . . . 25.0 104.806 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.9 m -96.24 148.64 22.52 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.279 -0.568 . . . . 25.0 111.89 -170.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -115.49 154.75 28.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.744 -1.116 . . . . 25.0 108.072 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 102.245 -3.243 . . . . 25.0 102.245 177.176 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.153 0 CA-C-O 118.194 -1.337 . . . . 25.0 111.305 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 54.43 48.32 20.86 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.153 0.976 . . . . 25.0 112.39 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.74 -20.14 29.54 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.882 -0.599 . . . . 25.0 113.071 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -102.45 142.84 25.4 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.55 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 83.9 Cg_endo -72.52 144.48 80.74 Favored 'Cis proline' 0 C--N 1.352 0.739 0 CA-C-N 118.043 0.337 . . . . 25.0 112.082 -1.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.97 -66.31 0.54 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.28 -1.128 . . . . 25.0 110.28 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -125.0 123.95 40.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.95 -18.07 38.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.815 -0.629 . . . . 25.0 112.039 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.1 -45.69 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.058 -0.401 . . . . 25.0 110.63 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.09 -33.59 76.11 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.783 -0.573 . . . . 25.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.99 -39.29 90.2 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.621 0.724 . . . . 25.0 109.617 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.3 t -63.98 -43.72 94.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.76 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.88 -42.4 99.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.952 0.342 . . . . 25.0 110.33 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.67 -47.57 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.649 0.262 . . . . 25.0 110.918 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.338 0.495 . . . . 25.0 112.338 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -62.13 -35.82 79.92 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.885 -0.509 . . . . 25.0 110.774 177.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.77 69.81 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.72 -16.38 63.32 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.38 131.75 1.41 Allowed Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.523 -0.846 . . . . 25.0 111.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.82 -13.32 56.37 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 115.951 1.14 . . . . 25.0 115.951 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.44 -22.83 78.24 Favored Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.402 -1.079 . . . . 25.0 110.402 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -84.96 126.66 33.7 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.574 -0.898 . . . . 25.0 108.574 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -94.49 -13.39 26.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.84 0.353 . . . . 25.0 110.896 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.8 -154.8 14.89 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.447 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.84 165.23 37.92 Favored Glycine 0 C--O 1.236 0.269 0 C-N-CA 121.177 -0.535 . . . . 25.0 111.783 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.45 172.0 12.37 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -123.65 142.27 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 121.129 -0.228 . . . . 25.0 110.444 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -175.6 4.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.151 -2.166 . . . . 25.0 105.151 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.42 40.82 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.537 -1.316 . . . . 25.0 113.493 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -67.51 -176.01 0.81 Allowed 'Trans proline' 0 C--O 1.216 -0.606 0 C-N-CA 124.368 3.378 . . . . 25.0 114.604 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.1 -3.6 2.82 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.283 -1.326 . . . . 25.0 113.354 172.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -141.21 164.27 30.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.1 mt 64.46 -162.23 0.27 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.277 1.031 . . . . 25.0 108.456 -173.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.09 -112.44 3.12 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.917 0.731 . . . . 25.0 112.431 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.55 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 45.9 m80 -123.93 64.95 35.2 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -72.26 -17.78 27.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 N-CA-C 115.973 1.489 . . . . 25.0 115.973 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -90.47 115.57 27.73 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.657 0.383 . . . . 25.0 111.28 -174.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.67 141.5 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.1 m -138.06 138.33 38.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.866 -2.272 . . . . 25.0 104.866 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.4 m -96.31 155.7 16.65 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.385 -0.822 . . . . 25.0 113.0 -170.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -120.51 155.03 34.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.657 -1.156 . . . . 25.0 107.982 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--O 1.255 1.373 0 N-CA-C 102.931 -2.989 . . . . 25.0 102.931 177.754 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 118.524 -1.153 . . . . 25.0 111.213 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 55.29 49.17 17.67 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.801 0.801 . . . . 25.0 112.262 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.44 -29.55 8.84 Favored Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.634 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.1 147.43 33.02 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 122.493 -0.416 . . . . 25.0 111.782 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 97.1 Cg_endo -73.38 133.38 30.4 Favored 'Cis proline' 0 C--N 1.349 0.584 0 CA-C-N 118.125 0.366 . . . . 25.0 112.676 -2.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.55 -67.48 0.48 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -116.8 123.14 46.4 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.88 -13.33 42.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.168 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -67.46 -48.7 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.733 -0.604 . . . . 25.0 110.836 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.42 -31.42 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.066 0.46 . . . . 25.0 110.508 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.26 -42.59 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -62.7 -44.69 95.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 25.0 110.654 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.81 -41.67 96.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.627 0.251 . . . . 25.0 111.147 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.57 -45.69 91.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 25.0 110.62 177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.3 m -62.81 -42.58 99.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.051 -0.405 . . . . 25.0 111.712 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.61 -35.96 79.36 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.17 -0.331 . . . . 25.0 110.677 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.08 73.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.971 0.359 . . . . 25.0 111.971 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.31 -16.68 63.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.33 128.76 1.11 Allowed Glycine 0 C--O 1.217 -0.958 0 N-CA-C 111.143 -0.783 . . . . 25.0 111.143 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.3 -14.16 56.12 Favored Glycine 0 C--O 1.221 -0.689 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.78 -24.14 76.62 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.824 -0.911 . . . . 25.0 110.824 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -78.19 126.27 30.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -88.66 -16.72 31.65 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.04 -149.94 10.72 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.892 -0.67 . . . . 25.0 113.186 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 165.35 38.82 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 109.906 -1.278 . . . . 25.0 109.906 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -137.62 172.38 13.04 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 -178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -120.22 145.73 46.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.986 0.422 . . . . 25.0 112.089 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.48 -161.06 1.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 103.564 -2.754 . . . . 25.0 103.564 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.99 -167.9 30.03 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 119.699 -1.238 . . . . 25.0 116.12 172.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.73 167.33 13.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.62 2.213 . . . . 25.0 112.743 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -69.22 0.54 4.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 116.354 1.983 . . . . 25.0 116.354 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -107.3 149.32 27.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 mt 61.18 -155.2 0.36 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.55 -73.17 0.91 Allowed Glycine 0 C--O 1.219 -0.843 0 C-N-CA 120.858 -0.687 . . . . 25.0 113.129 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 41.6 m80 -136.52 68.84 60.69 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.77 -26.52 52.65 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 N-CA-C 117.26 1.984 . . . . 25.0 117.26 -176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.4 m -95.05 123.87 38.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.11 133.82 35.54 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.1 m -129.19 133.31 47.51 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.97 151.26 19.59 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.243 -0.583 . . . . 25.0 112.067 -171.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 t -121.89 155.33 35.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.128 -0.942 . . . . 25.0 109.002 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.252 1.23 0 N-CA-C 102.417 -3.179 . . . . 25.0 102.417 175.738 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.98 0 CA-C-O 118.531 -1.149 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 54.31 45.31 27.5 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.72 0.76 . . . . 25.0 111.866 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.24 -15.14 46.5 Favored Glycine 0 C--O 1.225 -0.462 0 CA-C-N 115.559 -0.746 . . . . 25.0 114.435 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 145.4 31.52 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.62 141.6 68.8 Favored 'Cis proline' 0 C--N 1.355 0.904 0 CA-C-N 117.949 0.303 . . . . 25.0 112.35 -1.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.92 -67.01 0.48 Allowed Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.961 -0.856 . . . . 25.0 110.961 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -122.67 121.58 36.74 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.49 40.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.665 -0.698 . . . . 25.0 111.858 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -67.91 -45.77 73.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.976 -0.452 . . . . 25.0 111.052 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.62 -34.39 77.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.193 0.521 . . . . 25.0 110.501 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.73 -41.72 98.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.628 0.728 . . . . 25.0 109.751 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 t -64.43 -44.75 90.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 25.0 111.16 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.73 -41.67 95.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.213 0.46 . . . . 25.0 110.97 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.8 m -63.98 -43.0 97.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.072 -0.392 . . . . 25.0 110.845 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.66 70.85 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.15 -18.34 63.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.789 0.328 . . . . 25.0 111.358 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.97 129.24 1.13 Allowed Glycine 0 C--O 1.219 -0.826 0 N-CA-C 111.023 -0.831 . . . . 25.0 111.023 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -13.96 54.41 Favored Glycine 0 C--O 1.223 -0.562 0 N-CA-C 116.239 1.256 . . . . 25.0 116.239 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.17 75.85 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 110.475 -1.05 . . . . 25.0 110.475 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -78.32 127.1 31.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -89.75 -15.75 31.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.692 -0.484 . . . . 25.0 109.692 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.42 -150.51 11.56 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.583 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.74 166.61 39.8 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.003 -1.239 . . . . 25.0 110.003 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -132.33 162.73 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 m -103.75 136.28 43.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.757 0.313 . . . . 25.0 111.251 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -173.06 3.83 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.324 -2.102 . . . . 25.0 105.324 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.91 -179.92 41.86 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 119.27 -1.443 . . . . 25.0 114.23 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -68.13 -176.06 0.96 Allowed 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 123.318 2.679 . . . . 25.0 113.253 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -65.37 0.6 1.4 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.018 -1.446 . . . . 25.0 113.495 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -142.78 163.36 33.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.6 mt 64.15 -163.63 0.26 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.319 1.048 . . . . 25.0 109.767 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.47 -110.12 2.61 Favored Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.421 -0.419 . . . . 25.0 112.37 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -124.13 63.55 32.61 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 112.778 0.659 . . . . 25.0 112.778 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -74.25 -17.33 21.69 Favored 'Trans proline' 0 C--N 1.352 0.752 0 N-CA-C 115.859 1.446 . . . . 25.0 115.859 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.0 m -91.29 116.33 28.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.109 0.481 . . . . 25.0 112.032 -173.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -81.44 131.66 35.29 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 172.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.4 m -125.82 132.73 52.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 104.608 -2.367 . . . . 25.0 104.608 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -169.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -123.12 155.48 36.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.953 -1.021 . . . . 25.0 109.239 -177.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 . . . . . 0 C--O 1.253 1.26 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 176.133 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 118.402 -1.221 . . . . 25.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 52.21 50.55 18.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 117.919 0.86 . . . . 25.0 112.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.75 -21.12 24.39 Favored Glycine 0 C--O 1.225 -0.419 0 CA-C-N 115.425 -0.807 . . . . 25.0 113.699 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.58 144.28 28.33 Favored Pre-proline 0 C--O 1.242 0.689 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.54 143.22 77.15 Favored 'Cis proline' 0 C--N 1.354 0.853 0 O-C-N 121.615 0.271 . . . . 25.0 112.569 -0.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.66 -64.1 0.57 Allowed Glycine 0 C--O 1.226 -0.354 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.07 127.63 53.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.288 0.566 . . . . 25.0 112.276 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.86 -15.9 29.15 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.939 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -66.03 -51.23 60.11 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.937 -0.477 . . . . 25.0 110.62 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.3 -31.12 72.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.403 0.62 . . . . 25.0 110.796 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.32 -41.18 90.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.402 0.62 . . . . 25.0 109.791 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -64.82 -43.92 91.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.231 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -58.98 -43.3 91.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.776 0.262 . . . . 25.0 110.605 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -60.38 -47.92 84.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.564 -0.289 . . . . 25.0 110.872 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.877 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -63.06 -35.3 79.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.237 -0.29 . . . . 25.0 111.129 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.07 -31.56 72.51 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.96 -18.63 63.36 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.115 0.413 . . . . 25.0 112.115 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.02 134.68 1.93 Allowed Glycine 0 C--O 1.218 -0.881 0 C-N-CA 120.289 -0.958 . . . . 25.0 112.164 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.87 -16.2 61.28 Favored Glycine 0 C--O 1.22 -0.753 0 N-CA-C 115.828 1.091 . . . . 25.0 115.828 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.77 -23.11 77.36 Favored Glycine 0 C--O 1.223 -0.564 0 N-CA-C 111.12 -0.792 . . . . 25.0 111.12 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.38 125.19 29.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -87.68 -20.22 26.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.513 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.27 11.01 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.593 -1.003 . . . . 25.0 110.593 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.62 168.73 40.78 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.498 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -127.7 168.16 15.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 m -112.56 138.99 48.52 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.12 -173.55 3.86 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 104.687 -2.338 . . . . 25.0 104.687 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.64 -175.61 38.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.141 -1.504 . . . . 25.0 114.973 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.56 -177.52 1.21 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.652 2.901 . . . . 25.0 113.683 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -66.46 0.5 2.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.154 -1.384 . . . . 25.0 113.204 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -145.4 165.68 27.79 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.4 mt 64.47 -166.44 0.23 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.347 1.059 . . . . 25.0 109.294 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.19 -110.59 2.6 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 121.45 -0.405 . . . . 25.0 112.256 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -124.78 64.93 43.57 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 114.328 1.233 . . . . 25.0 114.328 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -72.76 -17.62 25.71 Favored 'Trans proline' 0 C--N 1.352 0.737 0 N-CA-C 116.037 1.514 . . . . 25.0 116.037 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.5 m -89.94 119.65 30.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 25.0 111.411 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -80.93 128.56 33.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -122.28 129.5 52.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.78 148.59 22.75 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -167.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -112.6 155.72 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.607 -1.179 . . . . 25.0 108.466 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--O 1.255 1.369 0 N-CA-C 102.083 -3.303 . . . . 25.0 102.083 175.758 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 56.27 41.93 28.57 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.713 0.768 . . . . 25.0 111.593 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.98 -23.0 22.8 Favored Glycine 0 C--O 1.229 -0.191 0 CA-C-N 115.095 -0.957 . . . . 25.0 113.224 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.34 150.49 37.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 122.182 -0.599 . . . . 25.0 111.701 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.93 129.64 17.13 Favored 'Cis proline' 0 C--N 1.35 0.626 0 N-CA-C 114.427 0.895 . . . . 25.0 114.427 0.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.05 -67.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 110.833 -0.907 . . . . 25.0 110.833 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -90.31 88.1 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.099 0.952 . . . . 25.0 111.968 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.81 -24.06 63.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.311 -0.859 . . . . 25.0 111.453 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -70.97 -44.62 65.61 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.128 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -63.79 -36.18 83.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 25.0 110.073 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -62.33 -41.33 98.48 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.154 0.502 . . . . 25.0 109.94 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -64.66 -46.14 83.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.266 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -62.07 -40.14 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 118.312 0.505 . . . . 25.0 111.016 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.58 -47.61 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 176.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 m -63.47 -43.73 96.48 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.938 -0.305 . . . . 25.0 111.66 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -60.43 -35.29 75.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.061 -0.399 . . . . 25.0 111.17 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.34 70.97 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.7 -16.13 62.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.788 0.327 . . . . 25.0 111.73 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.12 124.65 0.79 Allowed Glycine 0 C--O 1.22 -0.776 0 N-CA-C 110.594 -1.002 . . . . 25.0 110.594 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.48 50.79 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 116.373 1.309 . . . . 25.0 116.373 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.28 -23.34 78.1 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 110.867 -0.893 . . . . 25.0 110.867 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -75.72 128.45 35.22 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -85.34 -18.96 32.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.287 -0.635 . . . . 25.0 109.287 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.11 9.43 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.754 -0.657 . . . . 25.0 112.917 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.18 166.72 39.69 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.722 -1.351 . . . . 25.0 109.722 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.81 164.1 27.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.425 -1.324 . . . . 25.0 107.425 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.5 m -110.26 134.35 52.34 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.035 -0.358 . . . . 25.0 110.035 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.12 -170.02 3.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.215 -2.143 . . . . 25.0 105.215 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -177.34 43.59 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 119.139 -1.505 . . . . 25.0 114.77 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.81 -176.18 0.92 Allowed 'Trans proline' 0 C--O 1.219 -0.443 0 C-N-CA 124.162 3.241 . . . . 25.0 113.454 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -63.5 -2.86 1.76 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.039 -1.437 . . . . 25.0 113.808 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -134.96 156.53 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.4 mt 64.68 -170.74 0.19 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.521 1.128 . . . . 25.0 109.509 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.24 -94.75 1.71 Allowed Glycine 0 C--O 1.221 -0.663 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.617 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -127.69 63.39 60.0 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 113.939 1.089 . . . . 25.0 113.939 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -71.76 -20.15 26.65 Favored 'Trans proline' 0 C--N 1.352 0.754 0 N-CA-C 115.892 1.458 . . . . 25.0 115.892 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.7 m -96.43 118.44 32.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 25.0 112.142 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 m -81.07 131.65 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 m -127.42 134.09 49.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 104.419 -2.438 . . . . 25.0 104.419 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -96.56 153.25 17.95 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.121 -0.632 . . . . 25.0 112.338 -169.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -126.01 153.93 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.283 -0.871 . . . . 25.0 109.584 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 C--O 1.25 1.097 0 N-CA-C 103.371 -2.826 . . . . 25.0 103.371 179.004 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.968 0 CA-C-O 118.527 -1.152 . . . . 25.0 111.311 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 54.78 44.99 27.59 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 117.639 0.719 . . . . 25.0 111.741 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.61 32.76 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.766 -0.652 . . . . 25.0 114.096 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.28 146.09 32.06 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -72.28 143.17 76.4 Favored 'Cis proline' 0 C--N 1.354 0.83 0 CA-C-N 118.002 0.322 . . . . 25.0 112.51 -1.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.94 -65.18 0.56 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 110.665 -0.974 . . . . 25.0 110.665 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -118.39 123.22 44.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.93 0.715 . . . . 25.0 112.93 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 -16.76 35.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.727 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -66.63 -50.06 64.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.1 -0.375 . . . . 25.0 110.74 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -64.0 -33.04 74.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 25.0 110.358 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.57 -42.34 98.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.204 0.525 . . . . 25.0 109.59 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.4 -45.45 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.731 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.55 -41.19 94.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.015 0.371 . . . . 25.0 110.945 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.63 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.01 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.1 -43.32 95.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -62.72 -35.01 78.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.725 0.298 . . . . 25.0 110.772 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.6 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.39 -18.65 63.78 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.22 132.85 1.61 Allowed Glycine 0 C--O 1.216 -0.991 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.57 -15.64 57.63 Favored Glycine 0 C--O 1.22 -0.756 0 N-CA-C 116.084 1.194 . . . . 25.0 116.084 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.86 75.42 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 110.862 -0.895 . . . . 25.0 110.862 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -79.76 127.9 32.78 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -97.21 -13.32 22.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.897 0.38 . . . . 25.0 110.934 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.89 -155.13 18.89 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.41 165.17 38.62 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.86 -0.896 . . . . 25.0 110.86 178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -132.98 162.62 31.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.948 -1.13 . . . . 25.0 107.948 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.1 m -106.87 139.37 41.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 25.0 111.802 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.58 -173.37 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.759 -2.312 . . . . 25.0 104.759 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.77 43.49 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 119.011 -1.566 . . . . 25.0 115.411 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -68.56 -177.25 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.793 2.995 . . . . 25.0 113.341 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -64.49 -3.01 2.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.166 -1.379 . . . . 25.0 113.718 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -135.79 158.25 44.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 mt 63.63 -165.23 0.24 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.266 1.026 . . . . 25.0 108.938 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.37 -100.29 1.92 Allowed Glycine 0 C--O 1.218 -0.863 0 CA-C-O 121.592 0.551 . . . . 25.0 112.341 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -127.19 64.86 62.95 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.94 -17.79 28.41 Favored 'Trans proline' 0 C--N 1.352 0.748 0 N-CA-C 115.82 1.431 . . . . 25.0 115.82 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.9 m -93.45 117.52 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.852 0.358 . . . . 25.0 111.721 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.09 133.55 35.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 171.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 132.88 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 103.839 -2.652 . . . . 25.0 103.839 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.41 151.37 19.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 -168.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -117.22 154.7 30.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.455 -1.248 . . . . 25.0 108.62 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.251 1.177 0 N-CA-C 102.522 -3.14 . . . . 25.0 102.522 176.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.164 0 CA-C-O 118.591 -1.116 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 55.23 41.8 31.06 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.647 0.737 . . . . 25.0 111.963 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.47 -12.71 54.82 Favored Glycine 0 C--O 1.224 -0.494 0 CA-C-N 115.548 -0.751 . . . . 25.0 114.593 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.74 144.52 29.75 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 117.838 0.819 . . . . 25.0 113.134 -177.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -72.21 143.12 76.18 Favored 'Cis proline' 0 C--N 1.354 0.817 0 CA-C-N 118.04 0.336 . . . . 25.0 111.851 -1.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.71 -68.03 0.45 Allowed Glycine 0 C--O 1.224 -0.511 0 N-CA-C 110.898 -0.881 . . . . 25.0 110.898 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -121.64 120.54 35.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -21.84 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.815 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -67.96 -47.74 67.78 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.75 -0.593 . . . . 25.0 111.397 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.55 -35.22 78.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 25.0 110.315 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.26 -41.22 97.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.148 0.499 . . . . 25.0 109.84 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.08 -44.63 91.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 25.0 110.839 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.61 -43.73 93.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.08 0.4 . . . . 25.0 110.665 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.209 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 m -63.86 -43.24 96.69 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.6 mtp85 -63.08 -34.61 77.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.072 -0.393 . . . . 25.0 110.804 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.12 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.879 0.325 . . . . 25.0 111.879 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.71 -17.51 62.82 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.26 130.11 1.21 Allowed Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.651 -0.785 . . . . 25.0 111.684 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.46 -13.01 57.73 Favored Glycine 0 C--O 1.22 -0.75 0 N-CA-C 116.306 1.282 . . . . 25.0 116.306 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.82 -23.57 77.83 Favored Glycine 0 C--O 1.224 -0.525 0 N-CA-C 110.411 -1.076 . . . . 25.0 110.411 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -80.55 127.9 32.97 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -89.23 -18.14 27.66 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.06 0.457 . . . . 25.0 109.867 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.0 -149.25 9.79 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.258 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.08 168.3 39.73 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.487 -0.645 . . . . 25.0 111.487 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -131.52 169.12 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -114.52 136.58 52.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.829 0.347 . . . . 25.0 110.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.61 -171.94 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.96 41.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.035 -1.555 . . . . 25.0 114.863 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -67.78 -178.37 1.59 Allowed 'Trans proline' 0 CA--C 1.514 -0.487 0 C-N-CA 123.368 2.712 . . . . 25.0 112.736 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -66.39 0.59 2.06 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.347 -1.297 . . . . 25.0 113.184 173.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -139.29 162.85 33.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt 63.88 -167.31 0.22 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.325 1.05 . . . . 25.0 109.389 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.4 -104.5 2.15 Favored Glycine 0 C--O 1.221 -0.719 0 C-N-CA 121.384 -0.436 . . . . 25.0 112.363 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -125.27 63.7 43.68 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -73.39 -17.61 23.82 Favored 'Trans proline' 0 C--N 1.354 0.85 0 N-CA-C 116.086 1.533 . . . . 25.0 116.086 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -91.5 119.08 31.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.841 0.353 . . . . 25.0 111.363 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -81.1 129.81 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.579 -1.637 . . . . 25.0 106.579 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -124.76 129.91 51.38 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 103.709 -2.7 . . . . 25.0 103.709 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.7 m -96.4 153.51 17.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -166.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 t -121.26 153.72 37.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.979 -1.009 . . . . 25.0 108.908 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--O 1.252 1.194 0 N-CA-C 103.603 -2.74 . . . . 25.0 103.603 179.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.097 0 CA-C-O 118.544 -1.142 . . . . 25.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 54.67 41.63 31.8 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.669 0.747 . . . . 25.0 111.687 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.8 -19.23 38.66 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-N 115.117 -0.947 . . . . 25.0 114.281 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.77 147.75 34.32 Favored Pre-proline 0 C--O 1.242 0.685 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -177.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.31 136.28 42.63 Favored 'Cis proline' 0 C--N 1.353 0.786 0 N-CA-C 113.996 0.729 . . . . 25.0 113.996 0.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.52 -67.93 0.52 Allowed Glycine 0 C--O 1.225 -0.427 0 N-CA-C 110.549 -1.02 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -98.55 91.49 5.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.964 0.887 . . . . 25.0 111.561 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.6 -23.99 61.82 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.637 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.18 -43.62 67.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.004 -0.435 . . . . 25.0 109.955 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -62.53 -36.25 82.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.162 0.506 . . . . 25.0 110.245 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.67 -41.19 98.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.277 0.561 . . . . 25.0 110.032 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -65.49 -44.2 87.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.476 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.62 -41.01 96.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.031 0.378 . . . . 25.0 110.783 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -59.08 -47.44 85.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 m -64.17 -44.52 91.84 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -61.79 -34.44 75.89 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.072 -0.392 . . . . 25.0 111.301 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.38 71.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.43 -17.5 62.38 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.205 -0.309 . . . . 25.0 111.786 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.89 131.84 1.36 Allowed Glycine 0 C--O 1.219 -0.811 0 C-N-CA 120.636 -0.792 . . . . 25.0 112.302 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.06 -11.57 58.81 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 116.002 1.161 . . . . 25.0 116.002 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.37 77.67 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.0 -1.24 . . . . 25.0 110.0 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -81.7 126.65 32.04 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -77.01 -25.39 52.57 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.691 0.758 . . . . 25.0 110.082 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.26 -147.39 11.04 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.026 -1.23 . . . . 25.0 110.026 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.71 162.99 34.41 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -131.0 158.87 39.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.7 m -102.69 132.49 48.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.404 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.82 -175.34 4.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 104.7 -2.333 . . . . 25.0 104.7 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.3 -177.2 42.36 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.271 -1.443 . . . . 25.0 112.853 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -67.61 -179.49 2.02 Favored 'Trans proline' 0 C--O 1.219 -0.459 0 C-N-CA 122.665 2.244 . . . . 25.0 113.022 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -66.58 -2.91 5.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.377 -1.283 . . . . 25.0 112.784 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -134.81 162.02 33.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.034 -1.469 . . . . 25.0 107.034 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 mt 63.83 -162.47 0.28 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.154 0.982 . . . . 25.0 108.674 -172.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.32 -110.63 3.34 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.829 -0.509 . . . . 25.0 111.829 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -123.63 63.29 26.93 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 113.671 0.989 . . . . 25.0 113.671 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -73.01 -18.27 24.25 Favored 'Trans proline' 0 C--N 1.353 0.773 0 N-CA-C 115.523 1.316 . . . . 25.0 115.523 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -89.19 114.84 26.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.241 0.544 . . . . 25.0 111.29 -173.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.05 125.08 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.532 -1.655 . . . . 25.0 106.532 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -119.13 131.03 55.86 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 104.453 -2.425 . . . . 25.0 104.453 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -96.27 143.96 26.88 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.134 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -106.11 155.84 19.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.059 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.256 1.416 0 N-CA-C 103.641 -2.726 . . . . 25.0 103.641 176.739 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 CA-C-O 118.339 -1.256 . . . . 25.0 111.327 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 54.32 46.06 25.93 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 117.984 0.892 . . . . 25.0 112.057 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.66 -14.46 51.64 Favored Glycine 0 C--O 1.224 -0.51 0 CA-C-N 115.709 -0.678 . . . . 25.0 114.504 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -108.39 143.68 27.95 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -72.08 145.88 84.46 Favored 'Cis proline' 0 C--N 1.352 0.735 0 CA-C-N 117.971 0.311 . . . . 25.0 111.903 -2.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.88 -67.11 0.51 Allowed Glycine 0 CA--C 1.51 -0.279 0 N-CA-C 109.829 -1.308 . . . . 25.0 109.829 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.66 119.88 30.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.573 0.701 . . . . 25.0 112.193 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.78 -20.42 46.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.844 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.77 -45.59 74.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.681 -0.637 . . . . 25.0 111.325 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -61.98 -34.99 77.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 25.0 110.612 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.92 -41.36 97.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.389 0.614 . . . . 25.0 109.839 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.59 -43.9 92.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.204 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.84 -42.46 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.038 -0.414 . . . . 25.0 110.908 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -58.95 -47.73 84.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.55 -44.28 94.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.36 -35.46 77.52 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.098 -0.376 . . . . 25.0 111.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -30.95 71.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -17.73 64.01 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.027 0.38 . . . . 25.0 112.027 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.74 131.41 1.37 Allowed Glycine 0 C--O 1.22 -0.766 0 C-N-CA 120.215 -0.993 . . . . 25.0 112.246 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.34 -14.64 54.77 Favored Glycine 0 C--O 1.22 -0.754 0 N-CA-C 116.085 1.194 . . . . 25.0 116.085 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.98 -24.0 77.18 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 110.569 -1.012 . . . . 25.0 110.569 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -81.47 127.21 32.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.5 p -93.8 -14.25 26.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 -153.4 13.0 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.843 -0.694 . . . . 25.0 112.685 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.6 165.66 39.02 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.571 -1.412 . . . . 25.0 109.571 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -134.46 164.54 27.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.737 -1.209 . . . . 25.0 107.737 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.1 m -109.07 139.01 44.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.996 -0.372 . . . . 25.0 109.996 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.67 -171.69 3.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.97 -178.15 45.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.014 -1.565 . . . . 25.0 114.942 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.65 -175.59 0.95 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.891 3.061 . . . . 25.0 113.77 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -63.2 -2.84 1.51 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.133 -1.394 . . . . 25.0 114.285 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -138.08 160.56 39.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt 64.45 -164.66 0.25 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.669 1.188 . . . . 25.0 108.725 -173.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.06 -99.49 1.85 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.992 -0.623 . . . . 25.0 111.999 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -128.75 65.11 71.77 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 122.297 -0.531 . . . . 25.0 112.227 179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.81 -19.23 27.59 Favored 'Trans proline' 0 C--N 1.354 0.851 0 N-CA-C 116.376 1.644 . . . . 25.0 116.376 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.3 m -92.81 117.64 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.508 -173.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.05 134.39 35.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.4 m -129.66 133.75 47.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 104.483 -2.414 . . . . 25.0 104.483 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.43 152.37 18.68 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.081 -0.648 . . . . 25.0 112.111 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t -121.15 154.26 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.878 -1.055 . . . . 25.0 108.765 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.256 1.421 0 N-CA-C 102.618 -3.105 . . . . 25.0 102.618 177.734 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 118.5 -1.167 . . . . 25.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 54.93 45.98 25.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.803 0.811 . . . . 25.0 111.479 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.25 -24.12 17.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.0 -1.0 . . . . 25.0 113.058 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.98 146.1 30.91 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -177.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.4 132.3 25.25 Favored 'Cis proline' 0 C--N 1.351 0.705 0 N-CA-C 113.723 0.624 . . . . 25.0 113.723 0.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.15 -68.15 0.49 Allowed Glycine 0 C--O 1.226 -0.376 0 N-CA-C 111.571 -0.612 . . . . 25.0 111.571 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.65 98.44 9.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.779 0.8 . . . . 25.0 112.071 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.11 -23.78 61.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.017 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -71.34 -44.31 65.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.922 -0.486 . . . . 25.0 110.239 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -34.22 77.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 25.0 110.046 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.58 -40.44 95.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.116 0.484 . . . . 25.0 110.27 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -63.46 -42.36 98.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.548 -0.296 . . . . 25.0 110.729 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.32 -42.81 99.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.19 -0.319 . . . . 25.0 110.679 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.0 -45.14 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.723 0.297 . . . . 25.0 110.565 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 m -62.37 -44.46 96.42 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.003 -0.436 . . . . 25.0 111.483 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -61.51 -36.16 79.74 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.259 -0.276 . . . . 25.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.34 71.88 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.08 -18.33 64.64 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.46 132.74 1.6 Allowed Glycine 0 C--O 1.219 -0.785 0 C-N-CA 120.407 -0.902 . . . . 25.0 111.945 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.85 -13.73 57.21 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 115.453 0.941 . . . . 25.0 115.453 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.72 -22.65 78.9 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -84.05 126.95 33.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.8 p -92.39 -15.37 27.33 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.491 -0.322 . . . . 25.0 110.515 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.38 -154.47 14.74 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.017 -0.611 . . . . 25.0 112.387 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.9 165.17 36.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.049 -0.596 . . . . 25.0 111.655 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -135.02 172.8 12.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.551 -1.277 . . . . 25.0 107.551 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -112.98 147.66 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.74 -170.71 3.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 103.559 -2.756 . . . . 25.0 103.559 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.5 174.04 39.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 119.158 -1.496 . . . . 25.0 115.004 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -68.37 -176.48 1.12 Allowed 'Trans proline' 0 CA--C 1.514 -0.486 0 C-N-CA 122.888 2.392 . . . . 25.0 113.073 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.46 0.48 1.51 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.009 -1.45 . . . . 25.0 113.459 172.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -138.44 158.53 44.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.2 mt 64.15 -168.11 0.21 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.413 1.085 . . . . 25.0 110.485 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.57 -103.42 1.96 Allowed Glycine 0 C--O 1.218 -0.864 0 C-N-CA 121.493 -0.385 . . . . 25.0 112.576 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -123.69 61.56 22.81 Favored Pre-proline 0 CA--C 1.545 0.762 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -75.52 -18.02 17.97 Favored 'Trans proline' 0 C--N 1.353 0.799 0 N-CA-C 115.607 1.349 . . . . 25.0 115.607 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.2 m -86.06 122.68 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.93 0.395 . . . . 25.0 111.892 -173.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.05 128.62 33.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 171.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 m -120.22 125.32 47.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 104.143 -2.54 . . . . 25.0 104.143 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.3 m -97.53 150.35 21.19 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.985 -0.686 . . . . 25.0 112.828 -166.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -116.31 143.6 45.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.649 -1.159 . . . . 25.0 107.993 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.247 0.96 0 N-CA-C 103.834 -2.654 . . . . 25.0 103.834 177.857 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 118.597 -1.113 . . . . 25.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 56.57 41.85 28.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.701 0.762 . . . . 25.0 111.645 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.42 -24.23 20.78 Favored Glycine 0 CA--C 1.511 -0.215 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.088 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 148.06 33.91 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 112.652 0.612 . . . . 25.0 112.652 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.28 134.04 32.17 Favored 'Cis proline' 0 C--N 1.35 0.655 0 N-CA-C 114.021 0.739 . . . . 25.0 114.021 -0.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.49 -67.21 0.54 Allowed Glycine 0 C--O 1.225 -0.424 0 N-CA-C 110.577 -1.009 . . . . 25.0 110.577 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.88 90.72 5.33 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.146 0.974 . . . . 25.0 112.114 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.06 61.68 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.318 -0.855 . . . . 25.0 111.479 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -68.33 -45.61 72.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -63.72 -35.65 81.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.037 0.446 . . . . 25.0 110.924 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.1 t -63.4 -41.4 98.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.177 0.513 . . . . 25.0 109.94 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -64.32 -44.52 91.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.837 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.77 -40.62 95.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.236 -0.29 . . . . 25.0 111.103 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -61.55 -46.52 89.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.599 0.238 . . . . 25.0 110.399 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.79 -43.67 98.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.04 -0.413 . . . . 25.0 111.182 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.36 -35.86 78.6 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.098 -0.376 . . . . 25.0 111.277 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.02 71.69 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.073 0.397 . . . . 25.0 112.073 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.8 -17.73 64.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.718 0.294 . . . . 25.0 111.589 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.85 127.28 0.93 Allowed Glycine 0 C--O 1.218 -0.892 0 N-CA-C 110.874 -0.89 . . . . 25.0 110.874 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.42 -11.31 52.38 Favored Glycine 0 C--O 1.22 -0.779 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.15 -22.97 78.54 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 110.371 -1.092 . . . . 25.0 110.371 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -79.52 128.26 33.15 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.8 p -81.77 -22.21 37.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.386 0.612 . . . . 25.0 109.927 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.9 -147.76 10.34 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.321 -0.854 . . . . 25.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.75 165.71 39.05 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.282 -0.727 . . . . 25.0 111.282 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -133.28 166.87 21.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -113.33 140.13 48.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.537 0.208 . . . . 25.0 111.262 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.91 -171.13 3.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.423 -2.066 . . . . 25.0 105.423 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.52 -175.29 41.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.608 -1.282 . . . . 25.0 112.727 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -67.82 -179.02 1.85 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 122.917 2.412 . . . . 25.0 113.134 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -65.45 -3.11 3.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.535 -1.211 . . . . 25.0 112.938 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -132.17 156.19 46.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 mt 66.3 -172.94 0.19 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.548 1.139 . . . . 25.0 109.386 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.31 -105.01 1.86 Allowed Glycine 0 C--O 1.219 -0.818 0 C-N-CA 121.174 -0.536 . . . . 25.0 112.432 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -123.16 62.51 20.52 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -71.04 -20.53 28.73 Favored 'Trans proline' 0 C--N 1.351 0.702 0 N-CA-C 115.308 1.234 . . . . 25.0 115.308 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -92.94 115.94 28.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.128 0.49 . . . . 25.0 112.034 -172.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.04 132.05 35.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.3 m -126.96 132.91 50.72 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 104.58 -2.378 . . . . 25.0 104.58 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.85 152.08 19.04 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.107 -0.637 . . . . 25.0 112.43 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -117.43 154.65 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 25.0 108.459 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.254 1.342 0 N-CA-C 103.661 -2.718 . . . . 25.0 103.661 177.233 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.011 0 CA-C-O 118.787 -1.007 . . . . 25.0 111.419 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 55.19 43.19 29.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.585 0.707 . . . . 25.0 111.94 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.72 -20.04 25.92 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.409 -0.814 . . . . 25.0 113.878 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.43 145.61 30.9 Favored Pre-proline 0 C--O 1.242 0.687 0 O-C-N 122.262 -0.552 . . . . 25.0 111.618 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.53 137.7 51.7 Favored 'Cis proline' 0 C--N 1.353 0.79 0 N-CA-C 114.067 0.757 . . . . 25.0 114.067 -0.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.25 -64.61 0.61 Allowed Glycine 0 C--O 1.227 -0.339 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.5 90.66 5.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.144 0.973 . . . . 25.0 111.068 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -18.95 60.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.319 -0.855 . . . . 25.0 111.508 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -72.36 -45.2 60.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.291 0.567 . . . . 25.0 110.267 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.75 -41.72 97.97 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.341 0.591 . . . . 25.0 110.005 175.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -64.42 -43.76 93.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.973 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.65 -42.02 96.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.872 0.305 . . . . 25.0 110.858 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -58.52 -47.96 82.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.809 0.337 . . . . 25.0 110.282 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 m -64.37 -44.53 91.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.974 0.361 . . . . 25.0 111.974 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -61.9 -33.81 74.9 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.008 -0.433 . . . . 25.0 111.36 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.56 72.83 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.704 0.261 . . . . 25.0 111.704 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.65 -15.87 62.24 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.785 0.291 . . . . 25.0 111.785 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.43 131.97 1.4 Allowed Glycine 0 C--O 1.219 -0.823 0 C-N-CA 120.58 -0.819 . . . . 25.0 112.586 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.63 -12.41 61.67 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 115.146 0.818 . . . . 25.0 115.146 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.3 -21.93 78.55 Favored Glycine 0 C--O 1.22 -0.764 0 N-CA-C 110.498 -1.041 . . . . 25.0 110.498 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -81.42 126.05 31.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -79.28 -25.24 42.49 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.409 0.623 . . . . 25.0 109.918 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.99 -145.99 9.32 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.681 -0.968 . . . . 25.0 110.681 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.48 166.18 36.47 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.603 -0.599 . . . . 25.0 111.603 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -127.45 168.6 14.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.595 -1.631 . . . . 25.0 106.595 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -119.02 140.7 49.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.722 0.296 . . . . 25.0 110.307 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.18 -171.87 3.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.294 -2.484 . . . . 25.0 104.294 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.08 -177.19 41.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 118.971 -1.585 . . . . 25.0 114.724 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.66 -177.99 1.41 Allowed 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 123.5 2.8 . . . . 25.0 113.175 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.17 0.62 1.9 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.17 -1.377 . . . . 25.0 113.272 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -139.9 161.58 37.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.6 mt 62.99 -164.37 0.25 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.234 1.014 . . . . 25.0 109.308 -173.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.62 -104.56 2.33 Favored Glycine 0 C--O 1.222 -0.655 0 C-N-CA 121.236 -0.506 . . . . 25.0 112.699 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -125.45 63.51 44.42 Favored Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.828 1.047 . . . . 25.0 113.828 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.21 -17.83 27.41 Favored 'Trans proline' 0 C--N 1.353 0.779 0 N-CA-C 115.972 1.489 . . . . 25.0 115.972 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -91.37 119.11 31.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.832 0.349 . . . . 25.0 111.653 -173.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -81.01 136.0 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -130.54 133.36 46.17 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 104.156 -2.535 . . . . 25.0 104.156 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.09 148.53 22.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.732 0.641 . . . . 25.0 112.732 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -110.48 155.13 22.67 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.829 -1.078 . . . . 25.0 108.714 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.255 1.392 0 N-CA-C 103.213 -2.884 . . . . 25.0 103.213 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.98 0 CA-C-O 118.496 -1.169 . . . . 25.0 111.169 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 54.87 50.0 16.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 117.69 0.745 . . . . 25.0 111.548 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.95 -24.01 14.92 Favored Glycine 0 C--O 1.226 -0.369 0 CA-C-N 115.607 -0.724 . . . . 25.0 112.946 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 146.91 33.63 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.13 139.09 56.34 Favored 'Cis proline' 0 C--N 1.354 0.849 0 N-CA-C 112.978 0.338 . . . . 25.0 112.978 -1.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.43 -66.73 0.52 Allowed Glycine 0 C--O 1.223 -0.534 0 N-CA-C 110.799 -0.92 . . . . 25.0 110.799 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -117.79 128.45 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.329 0.585 . . . . 25.0 112.441 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.04 -13.88 32.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.181 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -66.5 -50.29 63.74 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.662 -0.649 . . . . 25.0 111.034 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.61 -29.36 69.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.24 0.543 . . . . 25.0 110.586 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.83 -41.56 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -64.62 -44.35 90.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.042 -0.527 . . . . 25.0 110.704 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.22 -43.26 92.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.194 -0.316 . . . . 25.0 110.985 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -61.49 -47.12 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.619 0.247 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 m -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.883 -0.327 . . . . 25.0 111.662 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -61.65 -37.41 83.91 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.261 -0.275 . . . . 25.0 111.03 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -30.94 71.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.63 -17.48 63.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.91 132.79 1.57 Allowed Glycine 0 C--O 1.216 -0.975 0 C-N-CA 120.595 -0.812 . . . . 25.0 112.091 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.52 -14.71 58.12 Favored Glycine 0 C--O 1.221 -0.702 0 N-CA-C 116.478 1.351 . . . . 25.0 116.478 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.4 -22.94 78.68 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 110.67 -0.972 . . . . 25.0 110.67 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -82.07 128.12 33.8 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.8 p -90.13 -17.98 26.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 25.0 109.981 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -150.07 12.6 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 111.25 -0.74 . . . . 25.0 111.25 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.35 167.65 40.65 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.553 -0.619 . . . . 25.0 111.553 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -130.78 163.08 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.556 -1.276 . . . . 25.0 107.556 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 m -101.96 142.29 33.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.737 0.273 . . . . 25.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 -175.37 4.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.118 -2.179 . . . . 25.0 105.118 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.88 179.52 42.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 119.181 -1.485 . . . . 25.0 114.322 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.39 -176.34 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 124.069 3.179 . . . . 25.0 113.785 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -64.0 -2.95 2.2 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.018 -1.447 . . . . 25.0 113.08 172.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -138.14 160.62 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 63.34 -163.98 0.26 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.032 . . . . 25.0 109.409 -174.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.69 -106.69 2.5 Favored Glycine 0 C--O 1.218 -0.872 0 C-N-CA 121.247 -0.501 . . . . 25.0 112.228 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -124.37 64.23 37.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -72.46 -17.97 26.43 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.412 1.274 . . . . 25.0 115.412 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.7 m -90.89 124.74 35.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.041 0.448 . . . . 25.0 111.376 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.5 m -87.57 124.12 33.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.7 m -114.61 130.37 56.78 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.482 -2.414 . . . . 25.0 104.482 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 59.9 m -96.28 151.09 19.84 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -167.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t -114.7 148.35 38.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.679 -1.146 . . . . 25.0 109.351 -175.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 C--O 1.243 0.738 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 177.836 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 CA-C-O 118.959 -0.912 . . . . 25.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 55.07 41.07 32.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.556 0.693 . . . . 25.0 112.351 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.51 -22.2 21.74 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.386 -0.825 . . . . 25.0 113.866 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.75 148.05 34.49 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -175.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.87 138.87 58.28 Favored 'Cis proline' 0 C--N 1.356 0.947 0 CA-C-N 118.076 0.349 . . . . 25.0 112.306 -2.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.83 -67.57 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 109.736 -1.346 . . . . 25.0 109.736 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -107.94 112.86 25.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.707 0.765 . . . . 25.0 112.53 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.28 -17.21 50.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.191 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.56 -50.71 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.04 -0.412 . . . . 25.0 111.405 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.35 -32.4 73.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.028 -0.36 . . . . 25.0 110.028 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.36 -42.27 98.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.374 0.607 . . . . 25.0 110.052 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -65.79 -45.13 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.854 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.36 -39.59 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.145 -0.347 . . . . 25.0 111.21 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.85 -46.65 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.468 . . . . 25.0 109.738 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.9 -44.38 89.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.11 0.411 . . . . 25.0 112.11 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -61.82 -33.21 73.73 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.112 -0.368 . . . . 25.0 111.261 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.21 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.53 -16.89 62.34 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.812 0.339 . . . . 25.0 111.251 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.5 129.63 1.18 Allowed Glycine 0 C--O 1.218 -0.849 0 C-N-CA 120.849 -0.691 . . . . 25.0 111.479 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -14.3 57.38 Favored Glycine 0 C--O 1.222 -0.633 0 N-CA-C 115.794 1.077 . . . . 25.0 115.794 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.62 -23.03 78.62 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 110.896 -0.882 . . . . 25.0 110.896 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -77.69 127.91 33.22 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.75 -18.08 30.22 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.14 0.495 . . . . 25.0 110.102 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.14 -149.17 10.97 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.234 -0.746 . . . . 25.0 111.234 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.07 166.76 38.9 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.829 -0.908 . . . . 25.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.02 164.22 23.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -107.29 132.54 52.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.673 0.273 . . . . 25.0 110.772 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.22 -177.11 4.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -174.47 41.3 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.016 -1.564 . . . . 25.0 113.919 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -68.24 179.03 3.15 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.441 2.094 . . . . 25.0 113.308 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -67.96 1.21 2.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.62 -1.173 . . . . 25.0 113.25 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -139.2 163.74 31.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 mt 62.06 -153.92 0.35 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.976 0.91 . . . . 25.0 108.632 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.29 -114.83 4.0 Favored Glycine 0 C--O 1.219 -0.789 0 N-CA-C 111.669 -0.572 . . . . 25.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -125.27 66.44 52.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.35 -14.6 28.2 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 116.258 1.599 . . . . 25.0 116.258 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.5 m -94.31 118.34 31.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.946 0.403 . . . . 25.0 111.527 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.17 131.94 35.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 173.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.4 m -125.92 131.66 52.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 103.653 -2.721 . . . . 25.0 103.653 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.07 151.43 19.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 -166.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -117.2 154.91 30.31 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.714 -1.13 . . . . 25.0 109.299 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.255 1.379 0 N-CA-C 101.957 -3.349 . . . . 25.0 101.957 175.098 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 CA-C-O 118.455 -1.192 . . . . 25.0 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 55.37 45.6 25.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 117.883 0.842 . . . . 25.0 111.712 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.31 -21.29 21.87 Favored Glycine 0 C--O 1.225 -0.407 0 CA-C-N 115.454 -0.793 . . . . 25.0 113.661 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.94 145.73 31.28 Favored Pre-proline 0 C--O 1.242 0.702 0 N-CA-C 114.631 1.345 . . . . 25.0 114.631 -175.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.05 142.9 75.35 Favored 'Cis proline' 0 C--N 1.353 0.787 0 CA-C-N 117.92 0.293 . . . . 25.0 112.703 -2.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.63 -66.95 0.52 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 110.126 -1.189 . . . . 25.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -117.14 129.51 56.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.339 0.59 . . . . 25.0 111.89 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.03 -17.52 26.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.916 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -66.57 -48.64 68.96 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 121.791 -0.568 . . . . 25.0 111.271 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.62 -29.1 70.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.035 0.445 . . . . 25.0 110.572 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.77 -41.17 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.503 0.668 . . . . 25.0 109.382 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -65.39 -43.2 91.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 25.0 110.977 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.81 -43.45 94.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 25.0 110.553 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.9 -47.09 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.384 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.41 -44.14 95.47 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 122.01 -0.431 . . . . 25.0 112.092 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -62.38 -35.96 80.78 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.01 -0.431 . . . . 25.0 111.003 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.755 0.28 . . . . 25.0 111.755 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.18 -16.61 62.54 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.15 134.32 1.93 Allowed Glycine 0 C--O 1.217 -0.944 0 C-N-CA 120.073 -1.06 . . . . 25.0 112.945 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.11 -15.26 62.72 Favored Glycine 0 C--O 1.216 -0.997 0 N-CA-C 115.389 0.916 . . . . 25.0 115.389 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.86 -22.54 76.76 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 110.792 -0.923 . . . . 25.0 110.792 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -80.81 125.97 30.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 p -90.56 -17.62 26.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.979 -0.555 . . . . 25.0 110.347 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.45 -154.99 17.88 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.429 -0.668 . . . . 25.0 111.429 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 163.58 37.24 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.13 -0.788 . . . . 25.0 111.13 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -134.52 165.47 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.8 m -101.93 145.7 28.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.53 -176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 104.992 -2.225 . . . . 25.0 104.992 176.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.77 -176.82 43.4 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 119.39 -1.386 . . . . 25.0 114.148 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.88 -179.21 2.38 Favored 'Trans proline' 0 C--O 1.216 -0.585 0 C-N-CA 122.804 2.336 . . . . 25.0 113.488 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -66.77 -2.95 5.65 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.492 -1.231 . . . . 25.0 113.054 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -136.93 162.96 31.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.4 mt 64.62 -159.9 0.29 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.29 1.036 . . . . 25.0 108.375 -172.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.03 -112.56 3.53 Favored Glycine 0 C--O 1.222 -0.636 0 N-CA-C 111.688 -0.565 . . . . 25.0 111.688 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -124.65 65.44 43.92 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.47 -15.73 27.66 Favored 'Trans proline' 0 C--N 1.353 0.783 0 N-CA-C 115.988 1.495 . . . . 25.0 115.988 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -92.62 120.11 32.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.33 133.12 35.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.1 m -125.42 131.8 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.16 -2.534 . . . . 25.0 104.16 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -97.02 152.1 19.07 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.507 0.928 . . . . 25.0 113.507 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -114.56 152.01 32.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.634 -1.167 . . . . 25.0 107.968 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.255 1.363 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 178.769 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 CA-C-O 118.53 -1.15 . . . . 25.0 111.353 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 55.02 45.13 26.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 117.778 0.789 . . . . 25.0 112.051 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.77 -15.11 49.26 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 115.81 -0.632 . . . . 25.0 114.346 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 146.44 34.06 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.44 140.5 62.99 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.975 0.312 . . . . 25.0 112.604 -1.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.0 -68.36 0.44 Allowed Glycine 0 C--O 1.223 -0.546 0 N-CA-C 110.838 -0.905 . . . . 25.0 110.838 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -120.65 126.05 49.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.392 0.615 . . . . 25.0 112.654 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.56 -18.37 33.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.822 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.66 -48.13 67.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.753 -0.592 . . . . 25.0 111.202 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.59 -32.22 73.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.846 -0.533 . . . . 25.0 110.465 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.67 -41.24 98.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 t -64.33 -43.41 94.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.031 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.18 -42.78 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 118.104 0.411 . . . . 25.0 110.602 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.8 -46.68 88.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.318 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.6 m -64.24 -43.17 95.75 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.338 0.496 . . . . 25.0 112.338 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -62.49 -34.23 76.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 25.0 110.953 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.08 72.04 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.28 -17.07 63.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.848 0.356 . . . . 25.0 111.66 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.16 129.81 1.13 Allowed Glycine 0 C--O 1.217 -0.923 0 C-N-CA 120.754 -0.736 . . . . 25.0 111.266 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 -12.53 58.49 Favored Glycine 0 C--O 1.22 -0.737 0 N-CA-C 115.471 0.949 . . . . 25.0 115.471 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.78 -23.65 76.73 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 110.011 -1.235 . . . . 25.0 110.011 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -82.27 126.68 32.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p -86.83 -17.78 32.57 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.14 0.495 . . . . 25.0 109.827 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.75 -150.57 10.92 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.747 -0.661 . . . . 25.0 112.2 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.27 165.42 38.71 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -135.46 163.57 29.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.2 m -102.85 143.49 32.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.68 -174.29 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.949 -2.241 . . . . 25.0 104.949 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.1 178.4 44.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 118.776 -1.678 . . . . 25.0 114.568 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -68.52 -178.27 1.81 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.703 2.936 . . . . 25.0 113.171 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -66.29 0.32 2.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.461 -1.245 . . . . 25.0 113.439 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -134.22 154.46 51.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 64.78 -167.95 0.21 Allowed 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.444 1.09 . . . . 25.0 109.448 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.71 -101.74 1.89 Allowed Glycine 0 C--O 1.221 -0.695 0 C-N-CA 121.115 -0.564 . . . . 25.0 111.861 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -123.74 64.16 30.77 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.07 -18.48 30.89 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.541 1.324 . . . . 25.0 115.541 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.3 m -92.48 125.47 37.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.926 0.393 . . . . 25.0 111.516 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.03 128.75 35.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 171.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 m -119.47 130.98 55.51 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.567 -2.383 . . . . 25.0 104.567 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.22 151.1 19.82 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.028 -0.669 . . . . 25.0 112.033 -169.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 t -118.52 149.3 41.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.801 -1.09 . . . . 25.0 108.241 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 C--O 1.25 1.11 0 N-CA-C 103.19 -2.892 . . . . 25.0 103.19 176.814 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 CA-C-O 118.238 -1.312 . . . . 25.0 111.159 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 54.13 50.61 16.16 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 117.859 0.83 . . . . 25.0 111.864 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.72 -17.14 27.51 Favored Glycine 0 C--O 1.226 -0.403 0 CA-C-N 115.488 -0.778 . . . . 25.0 114.021 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 144.01 28.32 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.22 1.193 . . . . 25.0 114.22 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.35 144.74 81.43 Favored 'Cis proline' 0 C--N 1.354 0.86 0 CA-C-N 118.059 0.342 . . . . 25.0 112.637 -1.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.14 -66.82 0.52 Allowed Glycine 0 C--O 1.226 -0.399 0 N-CA-C 110.664 -0.975 . . . . 25.0 110.664 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.22 123.21 37.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.47 0.652 . . . . 25.0 111.906 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.2 -12.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.034 -0.53 . . . . 25.0 112.334 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -64.8 -47.79 76.77 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.828 -0.545 . . . . 25.0 110.71 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.47 -29.71 69.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.41 -0.516 . . . . 25.0 111.194 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.12 -39.46 89.94 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.679 -0.638 . . . . 25.0 109.497 175.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -64.34 -43.49 94.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.826 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.28 -42.04 94.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.831 0.348 . . . . 25.0 110.557 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -60.7 -46.37 90.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.693 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 m -64.68 -42.03 95.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.173 0.435 . . . . 25.0 112.173 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -62.98 -34.44 77.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.991 -0.443 . . . . 25.0 111.389 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.51 70.07 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.774 0.321 . . . . 25.0 111.616 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -75.18 -11.82 60.16 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 122.156 -0.34 . . . . 25.0 111.903 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.0 131.56 1.34 Allowed Glycine 0 C--O 1.214 -1.117 0 C-N-CA 120.485 -0.864 . . . . 25.0 111.944 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.53 -15.78 64.42 Favored Glycine 0 C--O 1.222 -0.625 0 C-N-CA 121.026 -0.607 . . . . 25.0 114.549 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.56 -26.49 74.02 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.247 -1.141 . . . . 25.0 110.247 175.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -79.01 124.93 28.74 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 106.502 -1.666 . . . . 25.0 106.502 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.5 p -90.87 -16.67 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.67 -152.24 11.68 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.708 -0.678 . . . . 25.0 112.297 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.41 166.47 39.72 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.408 -0.677 . . . . 25.0 111.408 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -132.05 168.85 17.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -111.21 142.87 42.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.78 0.324 . . . . 25.0 111.253 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.06 -177.09 5.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.26 39.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 119.165 -1.493 . . . . 25.0 114.317 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -69.68 -178.84 2.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.961 3.107 . . . . 25.0 114.779 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -65.02 -3.07 3.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.263 -1.335 . . . . 25.0 113.599 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -147.06 165.4 30.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt 64.06 -159.02 0.3 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.09 0.956 . . . . 25.0 108.736 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.78 -122.49 4.97 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.247 0.359 . . . . 25.0 112.902 -176.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -122.79 64.03 21.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -74.54 -16.25 21.56 Favored 'Trans proline' 0 C--N 1.352 0.736 0 N-CA-C 115.831 1.435 . . . . 25.0 115.831 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.9 m -85.4 119.28 25.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.004 0.43 . . . . 25.0 111.156 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.1 m -81.63 134.43 35.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 173.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.8 m -127.6 132.98 49.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 104.201 -2.518 . . . . 25.0 104.201 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -97.61 152.24 19.26 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 119.763 -0.775 . . . . 25.0 113.024 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -119.12 154.5 33.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.96 -1.018 . . . . 25.0 108.57 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 102.154 -3.276 . . . . 25.0 102.154 176.185 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 CA-C-O 118.388 -1.229 . . . . 25.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 54.57 48.03 21.33 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.87 0.835 . . . . 25.0 111.707 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.02 -23.0 22.91 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.679 -0.691 . . . . 25.0 113.11 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.37 143.33 26.38 Favored Pre-proline 0 C--O 1.242 0.699 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -177.232 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.74 144.49 81.14 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.966 0.309 . . . . 25.0 112.592 -1.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -64.42 0.58 Allowed Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.89 -0.884 . . . . 25.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -118.85 126.39 51.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.43 0.633 . . . . 25.0 112.402 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.38 -16.78 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.767 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.0 -48.73 64.95 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.839 -0.538 . . . . 25.0 111.432 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.83 -30.5 71.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.806 -0.559 . . . . 25.0 110.537 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.6 -40.9 96.32 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.627 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.68 -42.85 93.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 118.125 0.421 . . . . 25.0 110.926 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.55 -47.0 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 25.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -64.02 -43.33 95.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -62.88 -34.52 77.57 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.016 -0.428 . . . . 25.0 110.842 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.22 72.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.733 0.272 . . . . 25.0 111.733 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.94 -17.13 62.69 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.23 132.14 1.48 Allowed Glycine 0 C--O 1.217 -0.924 0 C-N-CA 120.67 -0.776 . . . . 25.0 112.148 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.37 -14.75 60.26 Favored Glycine 0 C--O 1.222 -0.613 0 N-CA-C 115.866 1.106 . . . . 25.0 115.866 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.69 -23.22 78.28 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 110.558 -1.017 . . . . 25.0 110.558 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -81.19 125.23 30.02 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.52 -17.79 31.28 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 25.0 109.863 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.5 -150.44 12.06 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.714 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.65 166.85 38.18 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.865 -0.894 . . . . 25.0 110.865 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -131.97 165.18 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -111.71 139.98 46.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.706 0.289 . . . . 25.0 110.836 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.46 -175.54 4.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.9 -176.15 43.89 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.019 -1.562 . . . . 25.0 114.428 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.28 -177.97 1.61 Allowed 'Trans proline' 0 C--O 1.218 -0.491 0 C-N-CA 123.911 3.074 . . . . 25.0 113.743 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -65.0 -3.04 3.09 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.291 -1.322 . . . . 25.0 113.638 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -136.12 161.23 36.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 mt 62.37 -160.79 0.3 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -171.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.75 -103.32 2.6 Favored Glycine 0 C--O 1.221 -0.694 0 N-CA-C 111.389 -0.684 . . . . 25.0 111.389 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -128.22 67.35 74.88 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -71.22 -18.25 30.56 Favored 'Trans proline' 0 C--N 1.349 0.595 0 N-CA-C 115.98 1.492 . . . . 25.0 115.98 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -92.31 115.5 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.432 . . . . 25.0 111.406 -173.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.96 132.3 35.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 174.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.8 m -129.14 134.6 48.12 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.48 -2.415 . . . . 25.0 104.48 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.86 151.01 20.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -168.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -117.08 156.6 27.3 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.75 -1.114 . . . . 25.0 108.605 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 102.446 -3.168 . . . . 25.0 102.446 176.464 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.201 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 55.1 45.55 25.91 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 117.744 0.772 . . . . 25.0 111.853 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.56 -19.8 30.65 Favored Glycine 0 C--O 1.226 -0.401 0 CA-C-N 115.63 -0.714 . . . . 25.0 113.728 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 148.38 36.65 Favored Pre-proline 0 C--O 1.244 0.773 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.13 138.44 52.59 Favored 'Cis proline' 0 C--N 1.352 0.739 0 N-CA-C 112.999 0.346 . . . . 25.0 112.999 -0.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.69 -66.64 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -115.23 127.65 55.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.82 -14.55 31.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.702 -0.681 . . . . 25.0 112.222 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -67.64 -50.52 57.54 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.79 -0.569 . . . . 25.0 111.078 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -66.48 -29.36 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 25.0 110.279 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -64.19 -40.86 96.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 25.0 109.445 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 t -65.99 -44.8 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.659 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -58.91 -43.24 91.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.938 0.336 . . . . 25.0 110.986 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.66 -48.21 82.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.311 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 m -63.81 -43.07 97.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.961 0.356 . . . . 25.0 111.961 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -61.91 -36.2 80.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.138 -0.352 . . . . 25.0 110.912 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.43 72.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.85 -18.52 63.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.038 0.385 . . . . 25.0 112.038 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.91 133.26 1.69 Allowed Glycine 0 C--O 1.217 -0.912 0 C-N-CA 120.537 -0.84 . . . . 25.0 112.346 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -14.07 59.59 Favored Glycine 0 C--O 1.221 -0.677 0 N-CA-C 115.742 1.057 . . . . 25.0 115.742 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.34 -21.75 79.35 Favored Glycine 0 C--O 1.222 -0.646 0 N-CA-C 110.811 -0.916 . . . . 25.0 110.811 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -82.4 126.63 32.42 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -83.47 -21.64 32.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.477 0.656 . . . . 25.0 110.541 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.88 -149.14 12.61 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.641 -0.984 . . . . 25.0 110.641 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.38 165.64 38.76 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -130.93 161.37 32.04 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 m -100.68 140.42 34.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.775 0.321 . . . . 25.0 111.676 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.62 -176.68 5.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 104.794 -2.299 . . . . 25.0 104.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.48 179.09 45.11 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.509 -1.329 . . . . 25.0 113.186 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -68.97 -179.41 2.54 Favored 'Trans proline' 0 C--O 1.219 -0.452 0 C-N-CA 123.131 2.554 . . . . 25.0 113.615 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.91 -3.14 6.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.494 -1.23 . . . . 25.0 112.768 172.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -131.72 154.75 48.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt 65.83 -164.69 0.23 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.434 1.093 . . . . 25.0 108.662 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -99.28 -110.14 3.06 Favored Glycine 0 C--O 1.221 -0.674 0 C-N-CA 121.261 -0.495 . . . . 25.0 112.236 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -123.12 63.26 21.99 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -73.99 -17.94 21.88 Favored 'Trans proline' 0 C--N 1.354 0.817 0 N-CA-C 115.353 1.251 . . . . 25.0 115.353 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -88.7 115.84 26.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.124 0.488 . . . . 25.0 111.543 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.98 128.83 34.14 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 172.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.1 m -121.35 132.38 54.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.65 149.19 22.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.297 0.851 . . . . 25.0 113.297 -167.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -111.73 154.71 24.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.471 -1.24 . . . . 25.0 108.01 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.254 1.341 0 N-CA-C 103.642 -2.725 . . . . 25.0 103.642 177.621 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.086 0 CA-C-O 118.569 -1.128 . . . . 25.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 55.9 46.23 22.48 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.576 0.703 . . . . 25.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.31 -23.12 16.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.384 -0.826 . . . . 25.0 112.828 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.58 152.12 40.62 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.84 124.01 7.82 Favored 'Cis proline' 0 C--N 1.35 0.64 0 N-CA-C 114.573 0.951 . . . . 25.0 114.573 0.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.76 -68.83 0.45 Allowed Glycine 0 C--O 1.229 -0.204 0 CA-C-N 115.985 -0.552 . . . . 25.0 112.231 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -89.99 93.93 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.056 0.931 . . . . 25.0 113.006 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -21.41 62.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.379 -0.828 . . . . 25.0 112.25 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -72.83 -43.62 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.751 -0.593 . . . . 25.0 110.031 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.5 -32.65 74.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 25.0 109.951 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.42 -42.0 98.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.218 0.532 . . . . 25.0 109.99 174.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -62.37 -44.76 95.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.783 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.024 0.375 . . . . 25.0 111.088 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -60.51 -47.4 86.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.324 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 m -63.19 -42.8 99.4 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -62.3 -36.36 81.88 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.343 -0.223 . . . . 25.0 110.967 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.51 71.19 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.69 -18.43 62.82 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.49 133.95 1.73 Allowed Glycine 0 C--O 1.217 -0.946 0 C-N-CA 120.169 -1.015 . . . . 25.0 112.439 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.97 -15.37 60.27 Favored Glycine 0 C--O 1.221 -0.715 0 N-CA-C 116.001 1.16 . . . . 25.0 116.001 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.64 77.63 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 110.767 -0.933 . . . . 25.0 110.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -82.86 125.14 31.0 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.4 p -87.12 -19.69 28.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.18 0.514 . . . . 25.0 110.439 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.15 -150.63 11.84 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.869 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.35 165.79 38.43 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.711 -0.956 . . . . 25.0 110.711 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -138.49 167.17 22.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.694 -1.224 . . . . 25.0 107.694 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -110.48 144.0 39.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.95 -171.85 3.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 104.424 -2.435 . . . . 25.0 104.424 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.55 -179.61 44.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 119.202 -1.475 . . . . 25.0 113.502 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -68.48 -179.26 2.24 Favored 'Trans proline' 0 C--O 1.219 -0.441 0 C-N-CA 123.54 2.827 . . . . 25.0 113.672 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -67.58 -2.95 7.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.443 -1.253 . . . . 25.0 113.002 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -129.26 158.07 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt 63.54 -151.63 0.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 -171.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -121.33 -101.39 1.74 Allowed Glycine 0 C--O 1.219 -0.798 0 C-N-CA 121.309 -0.472 . . . . 25.0 112.293 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -121.22 58.06 7.22 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.12 -20.09 16.98 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 116.65 -1.767 . . . . 25.0 115.271 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.6 m -85.16 118.89 24.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.224 0.535 . . . . 25.0 111.839 -173.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.97 132.05 35.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 m -125.05 131.11 53.4 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 104.806 -2.294 . . . . 25.0 104.806 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.9 m -96.24 148.64 22.52 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.279 -0.568 . . . . 25.0 111.89 -170.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -115.49 154.75 28.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.744 -1.116 . . . . 25.0 108.072 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 102.245 -3.243 . . . . 25.0 102.245 177.176 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.153 0 CA-C-O 118.194 -1.337 . . . . 25.0 111.305 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 54.43 48.32 20.86 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.153 0.976 . . . . 25.0 112.39 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.74 -20.14 29.54 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.882 -0.599 . . . . 25.0 113.071 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -102.45 142.84 25.4 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.55 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 83.9 Cg_endo -72.52 144.48 80.74 Favored 'Cis proline' 0 C--N 1.352 0.739 0 CA-C-N 118.043 0.337 . . . . 25.0 112.082 -1.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.97 -66.31 0.54 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.28 -1.128 . . . . 25.0 110.28 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -125.0 123.95 40.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.95 -18.07 38.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.815 -0.629 . . . . 25.0 112.039 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.1 -45.69 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.058 -0.401 . . . . 25.0 110.63 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.09 -33.59 76.11 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.783 -0.573 . . . . 25.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.99 -39.29 90.2 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.621 0.724 . . . . 25.0 109.617 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.3 t -63.98 -43.72 94.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.76 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.88 -42.4 99.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.952 0.342 . . . . 25.0 110.33 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.67 -47.57 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.649 0.262 . . . . 25.0 110.918 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.338 0.495 . . . . 25.0 112.338 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -62.13 -35.82 79.92 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.885 -0.509 . . . . 25.0 110.774 177.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.77 69.81 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.72 -16.38 63.32 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.38 131.75 1.41 Allowed Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.523 -0.846 . . . . 25.0 111.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.82 -13.32 56.37 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 115.951 1.14 . . . . 25.0 115.951 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.44 -22.83 78.24 Favored Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.402 -1.079 . . . . 25.0 110.402 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -84.96 126.66 33.7 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.574 -0.898 . . . . 25.0 108.574 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -94.49 -13.39 26.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.84 0.353 . . . . 25.0 110.896 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.8 -154.8 14.89 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.447 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.84 165.23 37.92 Favored Glycine 0 C--O 1.236 0.269 0 C-N-CA 121.177 -0.535 . . . . 25.0 111.783 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.45 172.0 12.37 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -123.65 142.27 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 121.129 -0.228 . . . . 25.0 110.444 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -175.6 4.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.151 -2.166 . . . . 25.0 105.151 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.42 40.82 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.537 -1.316 . . . . 25.0 113.493 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -67.51 -176.01 0.81 Allowed 'Trans proline' 0 C--O 1.216 -0.606 0 C-N-CA 124.368 3.378 . . . . 25.0 114.604 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.1 -3.6 2.82 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.283 -1.326 . . . . 25.0 113.354 172.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -141.21 164.27 30.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.1 mt 64.46 -162.23 0.27 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.277 1.031 . . . . 25.0 108.456 -173.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.09 -112.44 3.12 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.917 0.731 . . . . 25.0 112.431 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.55 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 45.9 m80 -123.93 64.95 35.2 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -72.26 -17.78 27.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 N-CA-C 115.973 1.489 . . . . 25.0 115.973 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -90.47 115.57 27.73 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.657 0.383 . . . . 25.0 111.28 -174.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.67 141.5 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.1 m -138.06 138.33 38.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.866 -2.272 . . . . 25.0 104.866 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.4 m -96.31 155.7 16.65 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.385 -0.822 . . . . 25.0 113.0 -170.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -120.51 155.03 34.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.657 -1.156 . . . . 25.0 107.982 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--O 1.255 1.373 0 N-CA-C 102.931 -2.989 . . . . 25.0 102.931 177.754 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 118.524 -1.153 . . . . 25.0 111.213 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 55.29 49.17 17.67 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.801 0.801 . . . . 25.0 112.262 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.44 -29.55 8.84 Favored Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.634 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.1 147.43 33.02 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 122.493 -0.416 . . . . 25.0 111.782 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 97.1 Cg_endo -73.38 133.38 30.4 Favored 'Cis proline' 0 C--N 1.349 0.584 0 CA-C-N 118.125 0.366 . . . . 25.0 112.676 -2.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.55 -67.48 0.48 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -116.8 123.14 46.4 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.88 -13.33 42.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.168 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -67.46 -48.7 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.733 -0.604 . . . . 25.0 110.836 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.42 -31.42 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.066 0.46 . . . . 25.0 110.508 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.26 -42.59 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -62.7 -44.69 95.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 25.0 110.654 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.81 -41.67 96.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.627 0.251 . . . . 25.0 111.147 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.57 -45.69 91.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 25.0 110.62 177.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.3 m -62.81 -42.58 99.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.051 -0.405 . . . . 25.0 111.712 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.61 -35.96 79.36 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.17 -0.331 . . . . 25.0 110.677 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.08 73.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.971 0.359 . . . . 25.0 111.971 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.31 -16.68 63.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.33 128.76 1.11 Allowed Glycine 0 C--O 1.217 -0.958 0 N-CA-C 111.143 -0.783 . . . . 25.0 111.143 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.3 -14.16 56.12 Favored Glycine 0 C--O 1.221 -0.689 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.78 -24.14 76.62 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.824 -0.911 . . . . 25.0 110.824 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -78.19 126.27 30.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -88.66 -16.72 31.65 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.04 -149.94 10.72 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.892 -0.67 . . . . 25.0 113.186 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 165.35 38.82 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 109.906 -1.278 . . . . 25.0 109.906 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -137.62 172.38 13.04 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 -178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -120.22 145.73 46.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.986 0.422 . . . . 25.0 112.089 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.48 -161.06 1.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 103.564 -2.754 . . . . 25.0 103.564 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.99 -167.9 30.03 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 119.699 -1.238 . . . . 25.0 116.12 172.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.73 167.33 13.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.62 2.213 . . . . 25.0 112.743 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -69.22 0.54 4.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 116.354 1.983 . . . . 25.0 116.354 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -107.3 149.32 27.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 mt 61.18 -155.2 0.36 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.55 -73.17 0.91 Allowed Glycine 0 C--O 1.219 -0.843 0 C-N-CA 120.858 -0.687 . . . . 25.0 113.129 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 41.6 m80 -136.52 68.84 60.69 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.77 -26.52 52.65 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 N-CA-C 117.26 1.984 . . . . 25.0 117.26 -176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.4 m -95.05 123.87 38.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.11 133.82 35.54 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.1 m -129.19 133.31 47.51 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.97 151.26 19.59 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.243 -0.583 . . . . 25.0 112.067 -171.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 t -121.89 155.33 35.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.128 -0.942 . . . . 25.0 109.002 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.252 1.23 0 N-CA-C 102.417 -3.179 . . . . 25.0 102.417 175.738 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.98 0 CA-C-O 118.531 -1.149 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 54.31 45.31 27.5 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.72 0.76 . . . . 25.0 111.866 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.24 -15.14 46.5 Favored Glycine 0 C--O 1.225 -0.462 0 CA-C-N 115.559 -0.746 . . . . 25.0 114.435 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 145.4 31.52 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.62 141.6 68.8 Favored 'Cis proline' 0 C--N 1.355 0.904 0 CA-C-N 117.949 0.303 . . . . 25.0 112.35 -1.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.92 -67.01 0.48 Allowed Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.961 -0.856 . . . . 25.0 110.961 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -122.67 121.58 36.74 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.49 40.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.665 -0.698 . . . . 25.0 111.858 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -67.91 -45.77 73.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.976 -0.452 . . . . 25.0 111.052 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.62 -34.39 77.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.193 0.521 . . . . 25.0 110.501 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.73 -41.72 98.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.628 0.728 . . . . 25.0 109.751 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 t -64.43 -44.75 90.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 25.0 111.16 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.73 -41.67 95.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.213 0.46 . . . . 25.0 110.97 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.8 m -63.98 -43.0 97.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.072 -0.392 . . . . 25.0 110.845 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.66 70.85 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.15 -18.34 63.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.789 0.328 . . . . 25.0 111.358 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.97 129.24 1.13 Allowed Glycine 0 C--O 1.219 -0.826 0 N-CA-C 111.023 -0.831 . . . . 25.0 111.023 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -13.96 54.41 Favored Glycine 0 C--O 1.223 -0.562 0 N-CA-C 116.239 1.256 . . . . 25.0 116.239 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.17 75.85 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 110.475 -1.05 . . . . 25.0 110.475 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -78.32 127.1 31.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -89.75 -15.75 31.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.692 -0.484 . . . . 25.0 109.692 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.42 -150.51 11.56 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.583 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.74 166.61 39.8 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.003 -1.239 . . . . 25.0 110.003 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -132.33 162.73 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 m -103.75 136.28 43.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.757 0.313 . . . . 25.0 111.251 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -173.06 3.83 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.324 -2.102 . . . . 25.0 105.324 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.91 -179.92 41.86 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 119.27 -1.443 . . . . 25.0 114.23 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -68.13 -176.06 0.96 Allowed 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 123.318 2.679 . . . . 25.0 113.253 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -65.37 0.6 1.4 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.018 -1.446 . . . . 25.0 113.495 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -142.78 163.36 33.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.6 mt 64.15 -163.63 0.26 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.319 1.048 . . . . 25.0 109.767 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.47 -110.12 2.61 Favored Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.421 -0.419 . . . . 25.0 112.37 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -124.13 63.55 32.61 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 112.778 0.659 . . . . 25.0 112.778 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -74.25 -17.33 21.69 Favored 'Trans proline' 0 C--N 1.352 0.752 0 N-CA-C 115.859 1.446 . . . . 25.0 115.859 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.0 m -91.29 116.33 28.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.109 0.481 . . . . 25.0 112.032 -173.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -81.44 131.66 35.29 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 172.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.4 m -125.82 132.73 52.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 104.608 -2.367 . . . . 25.0 104.608 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -169.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -123.12 155.48 36.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.953 -1.021 . . . . 25.0 109.239 -177.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 . . . . . 0 C--O 1.253 1.26 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 176.133 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 118.402 -1.221 . . . . 25.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 52.21 50.55 18.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 117.919 0.86 . . . . 25.0 112.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.75 -21.12 24.39 Favored Glycine 0 C--O 1.225 -0.419 0 CA-C-N 115.425 -0.807 . . . . 25.0 113.699 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.58 144.28 28.33 Favored Pre-proline 0 C--O 1.242 0.689 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.54 143.22 77.15 Favored 'Cis proline' 0 C--N 1.354 0.853 0 O-C-N 121.615 0.271 . . . . 25.0 112.569 -0.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.66 -64.1 0.57 Allowed Glycine 0 C--O 1.226 -0.354 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.07 127.63 53.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.288 0.566 . . . . 25.0 112.276 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.86 -15.9 29.15 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.939 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -66.03 -51.23 60.11 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.937 -0.477 . . . . 25.0 110.62 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.3 -31.12 72.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.403 0.62 . . . . 25.0 110.796 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.32 -41.18 90.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.402 0.62 . . . . 25.0 109.791 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -64.82 -43.92 91.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.231 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -58.98 -43.3 91.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.776 0.262 . . . . 25.0 110.605 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -60.38 -47.92 84.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.564 -0.289 . . . . 25.0 110.872 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.877 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -63.06 -35.3 79.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.237 -0.29 . . . . 25.0 111.129 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.07 -31.56 72.51 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.96 -18.63 63.36 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.115 0.413 . . . . 25.0 112.115 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.02 134.68 1.93 Allowed Glycine 0 C--O 1.218 -0.881 0 C-N-CA 120.289 -0.958 . . . . 25.0 112.164 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.87 -16.2 61.28 Favored Glycine 0 C--O 1.22 -0.753 0 N-CA-C 115.828 1.091 . . . . 25.0 115.828 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.77 -23.11 77.36 Favored Glycine 0 C--O 1.223 -0.564 0 N-CA-C 111.12 -0.792 . . . . 25.0 111.12 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.38 125.19 29.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -87.68 -20.22 26.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.513 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.27 11.01 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.593 -1.003 . . . . 25.0 110.593 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.62 168.73 40.78 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.498 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -127.7 168.16 15.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 m -112.56 138.99 48.52 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.12 -173.55 3.86 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 104.687 -2.338 . . . . 25.0 104.687 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.64 -175.61 38.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.141 -1.504 . . . . 25.0 114.973 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.56 -177.52 1.21 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.652 2.901 . . . . 25.0 113.683 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -66.46 0.5 2.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.154 -1.384 . . . . 25.0 113.204 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -145.4 165.68 27.79 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.4 mt 64.47 -166.44 0.23 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.347 1.059 . . . . 25.0 109.294 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.19 -110.59 2.6 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 121.45 -0.405 . . . . 25.0 112.256 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -124.78 64.93 43.57 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 114.328 1.233 . . . . 25.0 114.328 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -72.76 -17.62 25.71 Favored 'Trans proline' 0 C--N 1.352 0.737 0 N-CA-C 116.037 1.514 . . . . 25.0 116.037 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.5 m -89.94 119.65 30.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 25.0 111.411 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -80.93 128.56 33.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -122.28 129.5 52.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.78 148.59 22.75 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -167.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -112.6 155.72 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.607 -1.179 . . . . 25.0 108.466 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--O 1.255 1.369 0 N-CA-C 102.083 -3.303 . . . . 25.0 102.083 175.758 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 56.27 41.93 28.57 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.713 0.768 . . . . 25.0 111.593 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.98 -23.0 22.8 Favored Glycine 0 C--O 1.229 -0.191 0 CA-C-N 115.095 -0.957 . . . . 25.0 113.224 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.34 150.49 37.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 122.182 -0.599 . . . . 25.0 111.701 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.93 129.64 17.13 Favored 'Cis proline' 0 C--N 1.35 0.626 0 N-CA-C 114.427 0.895 . . . . 25.0 114.427 0.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.05 -67.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 110.833 -0.907 . . . . 25.0 110.833 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -90.31 88.1 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.099 0.952 . . . . 25.0 111.968 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.81 -24.06 63.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.311 -0.859 . . . . 25.0 111.453 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -70.97 -44.62 65.61 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.128 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -63.79 -36.18 83.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 25.0 110.073 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -62.33 -41.33 98.48 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.154 0.502 . . . . 25.0 109.94 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -64.66 -46.14 83.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.266 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -62.07 -40.14 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 118.312 0.505 . . . . 25.0 111.016 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.58 -47.61 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 176.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 m -63.47 -43.73 96.48 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.938 -0.305 . . . . 25.0 111.66 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -60.43 -35.29 75.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.061 -0.399 . . . . 25.0 111.17 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.34 70.97 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.7 -16.13 62.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.788 0.327 . . . . 25.0 111.73 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.12 124.65 0.79 Allowed Glycine 0 C--O 1.22 -0.776 0 N-CA-C 110.594 -1.002 . . . . 25.0 110.594 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.48 50.79 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 116.373 1.309 . . . . 25.0 116.373 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.28 -23.34 78.1 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 110.867 -0.893 . . . . 25.0 110.867 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -75.72 128.45 35.22 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -85.34 -18.96 32.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.287 -0.635 . . . . 25.0 109.287 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.11 9.43 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.754 -0.657 . . . . 25.0 112.917 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.18 166.72 39.69 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.722 -1.351 . . . . 25.0 109.722 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.81 164.1 27.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.425 -1.324 . . . . 25.0 107.425 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.5 m -110.26 134.35 52.34 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.035 -0.358 . . . . 25.0 110.035 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.12 -170.02 3.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.215 -2.143 . . . . 25.0 105.215 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -177.34 43.59 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 119.139 -1.505 . . . . 25.0 114.77 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.81 -176.18 0.92 Allowed 'Trans proline' 0 C--O 1.219 -0.443 0 C-N-CA 124.162 3.241 . . . . 25.0 113.454 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -63.5 -2.86 1.76 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.039 -1.437 . . . . 25.0 113.808 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -134.96 156.53 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.4 mt 64.68 -170.74 0.19 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.521 1.128 . . . . 25.0 109.509 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.24 -94.75 1.71 Allowed Glycine 0 C--O 1.221 -0.663 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.617 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -127.69 63.39 60.0 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 113.939 1.089 . . . . 25.0 113.939 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -71.76 -20.15 26.65 Favored 'Trans proline' 0 C--N 1.352 0.754 0 N-CA-C 115.892 1.458 . . . . 25.0 115.892 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.7 m -96.43 118.44 32.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 25.0 112.142 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 m -81.07 131.65 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 m -127.42 134.09 49.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 104.419 -2.438 . . . . 25.0 104.419 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -96.56 153.25 17.95 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.121 -0.632 . . . . 25.0 112.338 -169.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -126.01 153.93 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.283 -0.871 . . . . 25.0 109.584 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 C--O 1.25 1.097 0 N-CA-C 103.371 -2.826 . . . . 25.0 103.371 179.004 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.968 0 CA-C-O 118.527 -1.152 . . . . 25.0 111.311 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 54.78 44.99 27.59 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 117.639 0.719 . . . . 25.0 111.741 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.61 32.76 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.766 -0.652 . . . . 25.0 114.096 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.28 146.09 32.06 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 76.2 Cg_endo -72.28 143.17 76.4 Favored 'Cis proline' 0 C--N 1.354 0.83 0 CA-C-N 118.002 0.322 . . . . 25.0 112.51 -1.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.94 -65.18 0.56 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 110.665 -0.974 . . . . 25.0 110.665 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -118.39 123.22 44.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.93 0.715 . . . . 25.0 112.93 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 -16.76 35.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.727 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -66.63 -50.06 64.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.1 -0.375 . . . . 25.0 110.74 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -64.0 -33.04 74.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 25.0 110.358 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.57 -42.34 98.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.204 0.525 . . . . 25.0 109.59 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.4 -45.45 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.731 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.55 -41.19 94.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.015 0.371 . . . . 25.0 110.945 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.63 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.01 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.1 -43.32 95.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -62.72 -35.01 78.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.725 0.298 . . . . 25.0 110.772 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.6 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.39 -18.65 63.78 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.22 132.85 1.61 Allowed Glycine 0 C--O 1.216 -0.991 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.57 -15.64 57.63 Favored Glycine 0 C--O 1.22 -0.756 0 N-CA-C 116.084 1.194 . . . . 25.0 116.084 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.86 75.42 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 110.862 -0.895 . . . . 25.0 110.862 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -79.76 127.9 32.78 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -97.21 -13.32 22.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.897 0.38 . . . . 25.0 110.934 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.89 -155.13 18.89 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.41 165.17 38.62 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.86 -0.896 . . . . 25.0 110.86 178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -132.98 162.62 31.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.948 -1.13 . . . . 25.0 107.948 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.1 m -106.87 139.37 41.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 25.0 111.802 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.58 -173.37 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.759 -2.312 . . . . 25.0 104.759 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.77 43.49 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 119.011 -1.566 . . . . 25.0 115.411 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -68.56 -177.25 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.793 2.995 . . . . 25.0 113.341 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -64.49 -3.01 2.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.166 -1.379 . . . . 25.0 113.718 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -135.79 158.25 44.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 mt 63.63 -165.23 0.24 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.266 1.026 . . . . 25.0 108.938 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.37 -100.29 1.92 Allowed Glycine 0 C--O 1.218 -0.863 0 CA-C-O 121.592 0.551 . . . . 25.0 112.341 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.409 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 29.9 m80 -127.19 64.86 62.95 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.94 -17.79 28.41 Favored 'Trans proline' 0 C--N 1.352 0.748 0 N-CA-C 115.82 1.431 . . . . 25.0 115.82 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.9 m -93.45 117.52 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.852 0.358 . . . . 25.0 111.721 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.09 133.55 35.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 171.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 132.88 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 103.839 -2.652 . . . . 25.0 103.839 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.41 151.37 19.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 -168.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -117.22 154.7 30.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.455 -1.248 . . . . 25.0 108.62 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.251 1.177 0 N-CA-C 102.522 -3.14 . . . . 25.0 102.522 176.788 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.164 0 CA-C-O 118.591 -1.116 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 55.23 41.8 31.06 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.647 0.737 . . . . 25.0 111.963 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.47 -12.71 54.82 Favored Glycine 0 C--O 1.224 -0.494 0 CA-C-N 115.548 -0.751 . . . . 25.0 114.593 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.74 144.52 29.75 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 117.838 0.819 . . . . 25.0 113.134 -177.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -72.21 143.12 76.18 Favored 'Cis proline' 0 C--N 1.354 0.817 0 CA-C-N 118.04 0.336 . . . . 25.0 111.851 -1.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.71 -68.03 0.45 Allowed Glycine 0 C--O 1.224 -0.511 0 N-CA-C 110.898 -0.881 . . . . 25.0 110.898 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -121.64 120.54 35.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -21.84 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.815 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -67.96 -47.74 67.78 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.75 -0.593 . . . . 25.0 111.397 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.55 -35.22 78.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 25.0 110.315 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.26 -41.22 97.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.148 0.499 . . . . 25.0 109.84 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.08 -44.63 91.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 25.0 110.839 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.61 -43.73 93.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.08 0.4 . . . . 25.0 110.665 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.209 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 m -63.86 -43.24 96.69 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.6 mtp85 -63.08 -34.61 77.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.072 -0.393 . . . . 25.0 110.804 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.12 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.879 0.325 . . . . 25.0 111.879 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.71 -17.51 62.82 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.26 130.11 1.21 Allowed Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.651 -0.785 . . . . 25.0 111.684 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.46 -13.01 57.73 Favored Glycine 0 C--O 1.22 -0.75 0 N-CA-C 116.306 1.282 . . . . 25.0 116.306 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.82 -23.57 77.83 Favored Glycine 0 C--O 1.224 -0.525 0 N-CA-C 110.411 -1.076 . . . . 25.0 110.411 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -80.55 127.9 32.97 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -89.23 -18.14 27.66 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.06 0.457 . . . . 25.0 109.867 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.0 -149.25 9.79 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.258 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.08 168.3 39.73 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.487 -0.645 . . . . 25.0 111.487 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -131.52 169.12 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -114.52 136.58 52.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.829 0.347 . . . . 25.0 110.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.61 -171.94 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.96 41.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.035 -1.555 . . . . 25.0 114.863 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -67.78 -178.37 1.59 Allowed 'Trans proline' 0 CA--C 1.514 -0.487 0 C-N-CA 123.368 2.712 . . . . 25.0 112.736 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -66.39 0.59 2.06 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.347 -1.297 . . . . 25.0 113.184 173.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -139.29 162.85 33.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt 63.88 -167.31 0.22 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.325 1.05 . . . . 25.0 109.389 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.4 -104.5 2.15 Favored Glycine 0 C--O 1.221 -0.719 0 C-N-CA 121.384 -0.436 . . . . 25.0 112.363 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -125.27 63.7 43.68 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -73.39 -17.61 23.82 Favored 'Trans proline' 0 C--N 1.354 0.85 0 N-CA-C 116.086 1.533 . . . . 25.0 116.086 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -91.5 119.08 31.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.841 0.353 . . . . 25.0 111.363 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -81.1 129.81 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.579 -1.637 . . . . 25.0 106.579 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -124.76 129.91 51.38 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 103.709 -2.7 . . . . 25.0 103.709 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.7 m -96.4 153.51 17.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -166.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 t -121.26 153.72 37.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.979 -1.009 . . . . 25.0 108.908 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--O 1.252 1.194 0 N-CA-C 103.603 -2.74 . . . . 25.0 103.603 179.88 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.097 0 CA-C-O 118.544 -1.142 . . . . 25.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 54.67 41.63 31.8 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.669 0.747 . . . . 25.0 111.687 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.8 -19.23 38.66 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-N 115.117 -0.947 . . . . 25.0 114.281 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.77 147.75 34.32 Favored Pre-proline 0 C--O 1.242 0.685 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -177.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.31 136.28 42.63 Favored 'Cis proline' 0 C--N 1.353 0.786 0 N-CA-C 113.996 0.729 . . . . 25.0 113.996 0.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.52 -67.93 0.52 Allowed Glycine 0 C--O 1.225 -0.427 0 N-CA-C 110.549 -1.02 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -98.55 91.49 5.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.964 0.887 . . . . 25.0 111.561 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.6 -23.99 61.82 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.637 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.18 -43.62 67.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.004 -0.435 . . . . 25.0 109.955 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -62.53 -36.25 82.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.162 0.506 . . . . 25.0 110.245 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.67 -41.19 98.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.277 0.561 . . . . 25.0 110.032 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -65.49 -44.2 87.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.476 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.62 -41.01 96.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.031 0.378 . . . . 25.0 110.783 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -59.08 -47.44 85.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 m -64.17 -44.52 91.84 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -61.79 -34.44 75.89 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.072 -0.392 . . . . 25.0 111.301 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.38 71.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.43 -17.5 62.38 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.205 -0.309 . . . . 25.0 111.786 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.89 131.84 1.36 Allowed Glycine 0 C--O 1.219 -0.811 0 C-N-CA 120.636 -0.792 . . . . 25.0 112.302 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.06 -11.57 58.81 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 116.002 1.161 . . . . 25.0 116.002 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.37 77.67 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.0 -1.24 . . . . 25.0 110.0 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -81.7 126.65 32.04 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -77.01 -25.39 52.57 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.691 0.758 . . . . 25.0 110.082 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.26 -147.39 11.04 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.026 -1.23 . . . . 25.0 110.026 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.71 162.99 34.41 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -131.0 158.87 39.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.7 m -102.69 132.49 48.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.404 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.82 -175.34 4.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 104.7 -2.333 . . . . 25.0 104.7 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.3 -177.2 42.36 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.271 -1.443 . . . . 25.0 112.853 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -67.61 -179.49 2.02 Favored 'Trans proline' 0 C--O 1.219 -0.459 0 C-N-CA 122.665 2.244 . . . . 25.0 113.022 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -66.58 -2.91 5.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.377 -1.283 . . . . 25.0 112.784 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -134.81 162.02 33.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.034 -1.469 . . . . 25.0 107.034 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 mt 63.83 -162.47 0.28 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.154 0.982 . . . . 25.0 108.674 -172.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.32 -110.63 3.34 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.829 -0.509 . . . . 25.0 111.829 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -123.63 63.29 26.93 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 113.671 0.989 . . . . 25.0 113.671 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -73.01 -18.27 24.25 Favored 'Trans proline' 0 C--N 1.353 0.773 0 N-CA-C 115.523 1.316 . . . . 25.0 115.523 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -89.19 114.84 26.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.241 0.544 . . . . 25.0 111.29 -173.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.05 125.08 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.532 -1.655 . . . . 25.0 106.532 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -119.13 131.03 55.86 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 104.453 -2.425 . . . . 25.0 104.453 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -96.27 143.96 26.88 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.134 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -106.11 155.84 19.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.059 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.256 1.416 0 N-CA-C 103.641 -2.726 . . . . 25.0 103.641 176.739 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 CA-C-O 118.339 -1.256 . . . . 25.0 111.327 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 54.32 46.06 25.93 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 117.984 0.892 . . . . 25.0 112.057 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.66 -14.46 51.64 Favored Glycine 0 C--O 1.224 -0.51 0 CA-C-N 115.709 -0.678 . . . . 25.0 114.504 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -108.39 143.68 27.95 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 89.7 Cg_endo -72.08 145.88 84.46 Favored 'Cis proline' 0 C--N 1.352 0.735 0 CA-C-N 117.971 0.311 . . . . 25.0 111.903 -2.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.88 -67.11 0.51 Allowed Glycine 0 CA--C 1.51 -0.279 0 N-CA-C 109.829 -1.308 . . . . 25.0 109.829 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.66 119.88 30.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.573 0.701 . . . . 25.0 112.193 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.78 -20.42 46.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.844 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.77 -45.59 74.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.681 -0.637 . . . . 25.0 111.325 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -61.98 -34.99 77.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 25.0 110.612 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.92 -41.36 97.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.389 0.614 . . . . 25.0 109.839 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.59 -43.9 92.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.204 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.84 -42.46 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.038 -0.414 . . . . 25.0 110.908 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -58.95 -47.73 84.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.55 -44.28 94.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.36 -35.46 77.52 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.098 -0.376 . . . . 25.0 111.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -30.95 71.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -17.73 64.01 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.027 0.38 . . . . 25.0 112.027 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.74 131.41 1.37 Allowed Glycine 0 C--O 1.22 -0.766 0 C-N-CA 120.215 -0.993 . . . . 25.0 112.246 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.34 -14.64 54.77 Favored Glycine 0 C--O 1.22 -0.754 0 N-CA-C 116.085 1.194 . . . . 25.0 116.085 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.98 -24.0 77.18 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 110.569 -1.012 . . . . 25.0 110.569 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -81.47 127.21 32.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.5 p -93.8 -14.25 26.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 -153.4 13.0 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.843 -0.694 . . . . 25.0 112.685 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.6 165.66 39.02 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.571 -1.412 . . . . 25.0 109.571 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -134.46 164.54 27.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.737 -1.209 . . . . 25.0 107.737 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.1 m -109.07 139.01 44.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.996 -0.372 . . . . 25.0 109.996 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.67 -171.69 3.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.97 -178.15 45.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.014 -1.565 . . . . 25.0 114.942 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.65 -175.59 0.95 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.891 3.061 . . . . 25.0 113.77 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -63.2 -2.84 1.51 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.133 -1.394 . . . . 25.0 114.285 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -138.08 160.56 39.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt 64.45 -164.66 0.25 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.669 1.188 . . . . 25.0 108.725 -173.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.06 -99.49 1.85 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.992 -0.623 . . . . 25.0 111.999 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 74.8 m-70 -128.75 65.11 71.77 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 122.297 -0.531 . . . . 25.0 112.227 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.81 -19.23 27.59 Favored 'Trans proline' 0 C--N 1.354 0.851 0 N-CA-C 116.376 1.644 . . . . 25.0 116.376 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.3 m -92.81 117.64 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.508 -173.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.05 134.39 35.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.4 m -129.66 133.75 47.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 104.483 -2.414 . . . . 25.0 104.483 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.43 152.37 18.68 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.081 -0.648 . . . . 25.0 112.111 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t -121.15 154.26 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.878 -1.055 . . . . 25.0 108.765 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.256 1.421 0 N-CA-C 102.618 -3.105 . . . . 25.0 102.618 177.734 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 118.5 -1.167 . . . . 25.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 54.93 45.98 25.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.803 0.811 . . . . 25.0 111.479 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.25 -24.12 17.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.0 -1.0 . . . . 25.0 113.058 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.98 146.1 30.91 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -177.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.4 132.3 25.25 Favored 'Cis proline' 0 C--N 1.351 0.705 0 N-CA-C 113.723 0.624 . . . . 25.0 113.723 0.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.15 -68.15 0.49 Allowed Glycine 0 C--O 1.226 -0.376 0 N-CA-C 111.571 -0.612 . . . . 25.0 111.571 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.65 98.44 9.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.779 0.8 . . . . 25.0 112.071 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.11 -23.78 61.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.017 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -71.34 -44.31 65.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.922 -0.486 . . . . 25.0 110.239 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -34.22 77.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 25.0 110.046 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.58 -40.44 95.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.116 0.484 . . . . 25.0 110.27 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -63.46 -42.36 98.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.548 -0.296 . . . . 25.0 110.729 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.32 -42.81 99.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.19 -0.319 . . . . 25.0 110.679 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.0 -45.14 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.723 0.297 . . . . 25.0 110.565 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 m -62.37 -44.46 96.42 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.003 -0.436 . . . . 25.0 111.483 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -61.51 -36.16 79.74 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.259 -0.276 . . . . 25.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.34 71.88 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.08 -18.33 64.64 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.46 132.74 1.6 Allowed Glycine 0 C--O 1.219 -0.785 0 C-N-CA 120.407 -0.902 . . . . 25.0 111.945 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.85 -13.73 57.21 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 115.453 0.941 . . . . 25.0 115.453 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.72 -22.65 78.9 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -84.05 126.95 33.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.8 p -92.39 -15.37 27.33 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.491 -0.322 . . . . 25.0 110.515 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.38 -154.47 14.74 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.017 -0.611 . . . . 25.0 112.387 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.9 165.17 36.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.049 -0.596 . . . . 25.0 111.655 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -135.02 172.8 12.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.551 -1.277 . . . . 25.0 107.551 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -112.98 147.66 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.74 -170.71 3.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 103.559 -2.756 . . . . 25.0 103.559 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.5 174.04 39.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 119.158 -1.496 . . . . 25.0 115.004 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -68.37 -176.48 1.12 Allowed 'Trans proline' 0 CA--C 1.514 -0.486 0 C-N-CA 122.888 2.392 . . . . 25.0 113.073 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.46 0.48 1.51 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.009 -1.45 . . . . 25.0 113.459 172.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -138.44 158.53 44.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.2 mt 64.15 -168.11 0.21 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.413 1.085 . . . . 25.0 110.485 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.57 -103.42 1.96 Allowed Glycine 0 C--O 1.218 -0.864 0 C-N-CA 121.493 -0.385 . . . . 25.0 112.576 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -123.69 61.56 22.81 Favored Pre-proline 0 CA--C 1.545 0.762 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -75.52 -18.02 17.97 Favored 'Trans proline' 0 C--N 1.353 0.799 0 N-CA-C 115.607 1.349 . . . . 25.0 115.607 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.2 m -86.06 122.68 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.93 0.395 . . . . 25.0 111.892 -173.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.05 128.62 33.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 171.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 m -120.22 125.32 47.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 104.143 -2.54 . . . . 25.0 104.143 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.3 m -97.53 150.35 21.19 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.985 -0.686 . . . . 25.0 112.828 -166.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -116.31 143.6 45.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.649 -1.159 . . . . 25.0 107.993 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.247 0.96 0 N-CA-C 103.834 -2.654 . . . . 25.0 103.834 177.857 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 118.597 -1.113 . . . . 25.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 56.57 41.85 28.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.701 0.762 . . . . 25.0 111.645 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.42 -24.23 20.78 Favored Glycine 0 CA--C 1.511 -0.215 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.088 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 148.06 33.91 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 112.652 0.612 . . . . 25.0 112.652 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.28 134.04 32.17 Favored 'Cis proline' 0 C--N 1.35 0.655 0 N-CA-C 114.021 0.739 . . . . 25.0 114.021 -0.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.49 -67.21 0.54 Allowed Glycine 0 C--O 1.225 -0.424 0 N-CA-C 110.577 -1.009 . . . . 25.0 110.577 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.88 90.72 5.33 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.146 0.974 . . . . 25.0 112.114 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.06 61.68 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.318 -0.855 . . . . 25.0 111.479 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -68.33 -45.61 72.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -63.72 -35.65 81.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.037 0.446 . . . . 25.0 110.924 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.1 t -63.4 -41.4 98.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.177 0.513 . . . . 25.0 109.94 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -64.32 -44.52 91.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.837 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.77 -40.62 95.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.236 -0.29 . . . . 25.0 111.103 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -61.55 -46.52 89.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.599 0.238 . . . . 25.0 110.399 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.79 -43.67 98.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.04 -0.413 . . . . 25.0 111.182 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.36 -35.86 78.6 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.098 -0.376 . . . . 25.0 111.277 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.02 71.69 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.073 0.397 . . . . 25.0 112.073 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.8 -17.73 64.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.718 0.294 . . . . 25.0 111.589 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.85 127.28 0.93 Allowed Glycine 0 C--O 1.218 -0.892 0 N-CA-C 110.874 -0.89 . . . . 25.0 110.874 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.42 -11.31 52.38 Favored Glycine 0 C--O 1.22 -0.779 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.15 -22.97 78.54 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 110.371 -1.092 . . . . 25.0 110.371 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -79.52 128.26 33.15 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.8 p -81.77 -22.21 37.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.386 0.612 . . . . 25.0 109.927 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.9 -147.76 10.34 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.321 -0.854 . . . . 25.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.75 165.71 39.05 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.282 -0.727 . . . . 25.0 111.282 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -133.28 166.87 21.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -113.33 140.13 48.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.537 0.208 . . . . 25.0 111.262 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.91 -171.13 3.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.423 -2.066 . . . . 25.0 105.423 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.52 -175.29 41.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.608 -1.282 . . . . 25.0 112.727 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -67.82 -179.02 1.85 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 122.917 2.412 . . . . 25.0 113.134 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -65.45 -3.11 3.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.535 -1.211 . . . . 25.0 112.938 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -132.17 156.19 46.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 mt 66.3 -172.94 0.19 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.548 1.139 . . . . 25.0 109.386 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.31 -105.01 1.86 Allowed Glycine 0 C--O 1.219 -0.818 0 C-N-CA 121.174 -0.536 . . . . 25.0 112.432 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -123.16 62.51 20.52 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -71.04 -20.53 28.73 Favored 'Trans proline' 0 C--N 1.351 0.702 0 N-CA-C 115.308 1.234 . . . . 25.0 115.308 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -92.94 115.94 28.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.128 0.49 . . . . 25.0 112.034 -172.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.04 132.05 35.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.3 m -126.96 132.91 50.72 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 104.58 -2.378 . . . . 25.0 104.58 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.85 152.08 19.04 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.107 -0.637 . . . . 25.0 112.43 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -117.43 154.65 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 25.0 108.459 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.254 1.342 0 N-CA-C 103.661 -2.718 . . . . 25.0 103.661 177.233 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.011 0 CA-C-O 118.787 -1.007 . . . . 25.0 111.419 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 55.19 43.19 29.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.585 0.707 . . . . 25.0 111.94 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.72 -20.04 25.92 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.409 -0.814 . . . . 25.0 113.878 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.43 145.61 30.9 Favored Pre-proline 0 C--O 1.242 0.687 0 O-C-N 122.262 -0.552 . . . . 25.0 111.618 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 96.2 Cg_endo -74.53 137.7 51.7 Favored 'Cis proline' 0 C--N 1.353 0.79 0 N-CA-C 114.067 0.757 . . . . 25.0 114.067 -0.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.25 -64.61 0.61 Allowed Glycine 0 C--O 1.227 -0.339 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.5 90.66 5.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.144 0.973 . . . . 25.0 111.068 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -18.95 60.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.319 -0.855 . . . . 25.0 111.508 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -72.36 -45.2 60.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.291 0.567 . . . . 25.0 110.267 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.75 -41.72 97.97 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.341 0.591 . . . . 25.0 110.005 175.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -64.42 -43.76 93.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.973 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.65 -42.02 96.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.872 0.305 . . . . 25.0 110.858 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -58.52 -47.96 82.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.809 0.337 . . . . 25.0 110.282 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 m -64.37 -44.53 91.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.974 0.361 . . . . 25.0 111.974 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -61.9 -33.81 74.9 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.008 -0.433 . . . . 25.0 111.36 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.56 72.83 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.704 0.261 . . . . 25.0 111.704 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.65 -15.87 62.24 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.785 0.291 . . . . 25.0 111.785 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.43 131.97 1.4 Allowed Glycine 0 C--O 1.219 -0.823 0 C-N-CA 120.58 -0.819 . . . . 25.0 112.586 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.63 -12.41 61.67 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 115.146 0.818 . . . . 25.0 115.146 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.3 -21.93 78.55 Favored Glycine 0 C--O 1.22 -0.764 0 N-CA-C 110.498 -1.041 . . . . 25.0 110.498 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -81.42 126.05 31.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -79.28 -25.24 42.49 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.409 0.623 . . . . 25.0 109.918 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.99 -145.99 9.32 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.681 -0.968 . . . . 25.0 110.681 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.48 166.18 36.47 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.603 -0.599 . . . . 25.0 111.603 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -127.45 168.6 14.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.595 -1.631 . . . . 25.0 106.595 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -119.02 140.7 49.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.722 0.296 . . . . 25.0 110.307 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.18 -171.87 3.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.294 -2.484 . . . . 25.0 104.294 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.08 -177.19 41.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 118.971 -1.585 . . . . 25.0 114.724 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.66 -177.99 1.41 Allowed 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 123.5 2.8 . . . . 25.0 113.175 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.17 0.62 1.9 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.17 -1.377 . . . . 25.0 113.272 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -139.9 161.58 37.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.6 mt 62.99 -164.37 0.25 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.234 1.014 . . . . 25.0 109.308 -173.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.62 -104.56 2.33 Favored Glycine 0 C--O 1.222 -0.655 0 C-N-CA 121.236 -0.506 . . . . 25.0 112.699 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 20.2 m80 -125.45 63.51 44.42 Favored Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.828 1.047 . . . . 25.0 113.828 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.21 -17.83 27.41 Favored 'Trans proline' 0 C--N 1.353 0.779 0 N-CA-C 115.972 1.489 . . . . 25.0 115.972 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -91.37 119.11 31.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.832 0.349 . . . . 25.0 111.653 -173.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -81.01 136.0 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -130.54 133.36 46.17 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 104.156 -2.535 . . . . 25.0 104.156 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.09 148.53 22.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.732 0.641 . . . . 25.0 112.732 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -110.48 155.13 22.67 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.829 -1.078 . . . . 25.0 108.714 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.255 1.392 0 N-CA-C 103.213 -2.884 . . . . 25.0 103.213 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.98 0 CA-C-O 118.496 -1.169 . . . . 25.0 111.169 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 54.87 50.0 16.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 117.69 0.745 . . . . 25.0 111.548 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.95 -24.01 14.92 Favored Glycine 0 C--O 1.226 -0.369 0 CA-C-N 115.607 -0.724 . . . . 25.0 112.946 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 146.91 33.63 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.13 139.09 56.34 Favored 'Cis proline' 0 C--N 1.354 0.849 0 N-CA-C 112.978 0.338 . . . . 25.0 112.978 -1.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.43 -66.73 0.52 Allowed Glycine 0 C--O 1.223 -0.534 0 N-CA-C 110.799 -0.92 . . . . 25.0 110.799 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -117.79 128.45 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.329 0.585 . . . . 25.0 112.441 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.04 -13.88 32.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.181 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -66.5 -50.29 63.74 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.662 -0.649 . . . . 25.0 111.034 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.61 -29.36 69.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.24 0.543 . . . . 25.0 110.586 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.83 -41.56 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -64.62 -44.35 90.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.042 -0.527 . . . . 25.0 110.704 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.22 -43.26 92.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.194 -0.316 . . . . 25.0 110.985 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -61.49 -47.12 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.619 0.247 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 m -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.883 -0.327 . . . . 25.0 111.662 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -61.65 -37.41 83.91 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.261 -0.275 . . . . 25.0 111.03 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -30.94 71.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.63 -17.48 63.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.91 132.79 1.57 Allowed Glycine 0 C--O 1.216 -0.975 0 C-N-CA 120.595 -0.812 . . . . 25.0 112.091 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.52 -14.71 58.12 Favored Glycine 0 C--O 1.221 -0.702 0 N-CA-C 116.478 1.351 . . . . 25.0 116.478 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.4 -22.94 78.68 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 110.67 -0.972 . . . . 25.0 110.67 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -82.07 128.12 33.8 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.8 p -90.13 -17.98 26.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 25.0 109.981 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -150.07 12.6 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 111.25 -0.74 . . . . 25.0 111.25 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.35 167.65 40.65 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.553 -0.619 . . . . 25.0 111.553 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -130.78 163.08 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.556 -1.276 . . . . 25.0 107.556 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 m -101.96 142.29 33.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.737 0.273 . . . . 25.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 -175.37 4.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.118 -2.179 . . . . 25.0 105.118 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.88 179.52 42.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 119.181 -1.485 . . . . 25.0 114.322 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.39 -176.34 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 124.069 3.179 . . . . 25.0 113.785 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -64.0 -2.95 2.2 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.018 -1.447 . . . . 25.0 113.08 172.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -138.14 160.62 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 63.34 -163.98 0.26 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.032 . . . . 25.0 109.409 -174.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.69 -106.69 2.5 Favored Glycine 0 C--O 1.218 -0.872 0 C-N-CA 121.247 -0.501 . . . . 25.0 112.228 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -124.37 64.23 37.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -72.46 -17.97 26.43 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.412 1.274 . . . . 25.0 115.412 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.7 m -90.89 124.74 35.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.041 0.448 . . . . 25.0 111.376 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.5 m -87.57 124.12 33.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.7 m -114.61 130.37 56.78 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.482 -2.414 . . . . 25.0 104.482 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 59.9 m -96.28 151.09 19.84 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -167.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t -114.7 148.35 38.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.679 -1.146 . . . . 25.0 109.351 -175.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 C--O 1.243 0.738 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 177.836 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 CA-C-O 118.959 -0.912 . . . . 25.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 55.07 41.07 32.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.556 0.693 . . . . 25.0 112.351 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.51 -22.2 21.74 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.386 -0.825 . . . . 25.0 113.866 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.75 148.05 34.49 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -175.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.87 138.87 58.28 Favored 'Cis proline' 0 C--N 1.356 0.947 0 CA-C-N 118.076 0.349 . . . . 25.0 112.306 -2.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.83 -67.57 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 109.736 -1.346 . . . . 25.0 109.736 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -107.94 112.86 25.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.707 0.765 . . . . 25.0 112.53 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.28 -17.21 50.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.191 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.56 -50.71 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.04 -0.412 . . . . 25.0 111.405 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.35 -32.4 73.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.028 -0.36 . . . . 25.0 110.028 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.36 -42.27 98.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.374 0.607 . . . . 25.0 110.052 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -65.79 -45.13 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.854 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.36 -39.59 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.145 -0.347 . . . . 25.0 111.21 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.85 -46.65 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.468 . . . . 25.0 109.738 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.9 -44.38 89.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.11 0.411 . . . . 25.0 112.11 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -61.82 -33.21 73.73 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.112 -0.368 . . . . 25.0 111.261 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.21 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.53 -16.89 62.34 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.812 0.339 . . . . 25.0 111.251 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.5 129.63 1.18 Allowed Glycine 0 C--O 1.218 -0.849 0 C-N-CA 120.849 -0.691 . . . . 25.0 111.479 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -14.3 57.38 Favored Glycine 0 C--O 1.222 -0.633 0 N-CA-C 115.794 1.077 . . . . 25.0 115.794 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.62 -23.03 78.62 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 110.896 -0.882 . . . . 25.0 110.896 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -77.69 127.91 33.22 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.75 -18.08 30.22 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.14 0.495 . . . . 25.0 110.102 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.14 -149.17 10.97 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.234 -0.746 . . . . 25.0 111.234 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.07 166.76 38.9 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.829 -0.908 . . . . 25.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.02 164.22 23.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -107.29 132.54 52.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.673 0.273 . . . . 25.0 110.772 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.22 -177.11 4.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -174.47 41.3 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.016 -1.564 . . . . 25.0 113.919 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -68.24 179.03 3.15 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.441 2.094 . . . . 25.0 113.308 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -67.96 1.21 2.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.62 -1.173 . . . . 25.0 113.25 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -139.2 163.74 31.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 mt 62.06 -153.92 0.35 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.976 0.91 . . . . 25.0 108.632 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.29 -114.83 4.0 Favored Glycine 0 C--O 1.219 -0.789 0 N-CA-C 111.669 -0.572 . . . . 25.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -125.27 66.44 52.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.35 -14.6 28.2 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 116.258 1.599 . . . . 25.0 116.258 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.5 m -94.31 118.34 31.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.946 0.403 . . . . 25.0 111.527 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.17 131.94 35.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 173.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.4 m -125.92 131.66 52.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 103.653 -2.721 . . . . 25.0 103.653 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.07 151.43 19.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 -166.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -117.2 154.91 30.31 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.714 -1.13 . . . . 25.0 109.299 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.255 1.379 0 N-CA-C 101.957 -3.349 . . . . 25.0 101.957 175.098 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 CA-C-O 118.455 -1.192 . . . . 25.0 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 55.37 45.6 25.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 117.883 0.842 . . . . 25.0 111.712 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.31 -21.29 21.87 Favored Glycine 0 C--O 1.225 -0.407 0 CA-C-N 115.454 -0.793 . . . . 25.0 113.661 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.94 145.73 31.28 Favored Pre-proline 0 C--O 1.242 0.702 0 N-CA-C 114.631 1.345 . . . . 25.0 114.631 -175.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.05 142.9 75.35 Favored 'Cis proline' 0 C--N 1.353 0.787 0 CA-C-N 117.92 0.293 . . . . 25.0 112.703 -2.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.63 -66.95 0.52 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 110.126 -1.189 . . . . 25.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -117.14 129.51 56.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.339 0.59 . . . . 25.0 111.89 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.03 -17.52 26.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.916 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -66.57 -48.64 68.96 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 121.791 -0.568 . . . . 25.0 111.271 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.62 -29.1 70.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.035 0.445 . . . . 25.0 110.572 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.77 -41.17 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.503 0.668 . . . . 25.0 109.382 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -65.39 -43.2 91.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 25.0 110.977 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.81 -43.45 94.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 25.0 110.553 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.9 -47.09 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.384 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.41 -44.14 95.47 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 122.01 -0.431 . . . . 25.0 112.092 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -62.38 -35.96 80.78 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.01 -0.431 . . . . 25.0 111.003 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.755 0.28 . . . . 25.0 111.755 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.18 -16.61 62.54 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.15 134.32 1.93 Allowed Glycine 0 C--O 1.217 -0.944 0 C-N-CA 120.073 -1.06 . . . . 25.0 112.945 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.11 -15.26 62.72 Favored Glycine 0 C--O 1.216 -0.997 0 N-CA-C 115.389 0.916 . . . . 25.0 115.389 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.86 -22.54 76.76 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 110.792 -0.923 . . . . 25.0 110.792 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -80.81 125.97 30.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 p -90.56 -17.62 26.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.979 -0.555 . . . . 25.0 110.347 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.45 -154.99 17.88 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.429 -0.668 . . . . 25.0 111.429 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 163.58 37.24 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.13 -0.788 . . . . 25.0 111.13 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -134.52 165.47 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.8 m -101.93 145.7 28.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.53 -176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 104.992 -2.225 . . . . 25.0 104.992 176.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.77 -176.82 43.4 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 119.39 -1.386 . . . . 25.0 114.148 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.88 -179.21 2.38 Favored 'Trans proline' 0 C--O 1.216 -0.585 0 C-N-CA 122.804 2.336 . . . . 25.0 113.488 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -66.77 -2.95 5.65 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.492 -1.231 . . . . 25.0 113.054 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -136.93 162.96 31.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.4 mt 64.62 -159.9 0.29 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.29 1.036 . . . . 25.0 108.375 -172.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.03 -112.56 3.53 Favored Glycine 0 C--O 1.222 -0.636 0 N-CA-C 111.688 -0.565 . . . . 25.0 111.688 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -124.65 65.44 43.92 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.47 -15.73 27.66 Favored 'Trans proline' 0 C--N 1.353 0.783 0 N-CA-C 115.988 1.495 . . . . 25.0 115.988 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -92.62 120.11 32.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.33 133.12 35.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.1 m -125.42 131.8 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.16 -2.534 . . . . 25.0 104.16 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -97.02 152.1 19.07 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.507 0.928 . . . . 25.0 113.507 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -114.56 152.01 32.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.634 -1.167 . . . . 25.0 107.968 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.255 1.363 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 178.769 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 CA-C-O 118.53 -1.15 . . . . 25.0 111.353 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 55.02 45.13 26.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 117.778 0.789 . . . . 25.0 112.051 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.77 -15.11 49.26 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 115.81 -0.632 . . . . 25.0 114.346 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 146.44 34.06 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.44 140.5 62.99 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.975 0.312 . . . . 25.0 112.604 -1.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.0 -68.36 0.44 Allowed Glycine 0 C--O 1.223 -0.546 0 N-CA-C 110.838 -0.905 . . . . 25.0 110.838 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -120.65 126.05 49.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.392 0.615 . . . . 25.0 112.654 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.56 -18.37 33.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.822 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.66 -48.13 67.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.753 -0.592 . . . . 25.0 111.202 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.59 -32.22 73.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.846 -0.533 . . . . 25.0 110.465 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.67 -41.24 98.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 t -64.33 -43.41 94.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.031 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.18 -42.78 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 118.104 0.411 . . . . 25.0 110.602 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.8 -46.68 88.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.318 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.6 m -64.24 -43.17 95.75 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.338 0.496 . . . . 25.0 112.338 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -62.49 -34.23 76.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 25.0 110.953 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.08 72.04 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.28 -17.07 63.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.848 0.356 . . . . 25.0 111.66 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.16 129.81 1.13 Allowed Glycine 0 C--O 1.217 -0.923 0 C-N-CA 120.754 -0.736 . . . . 25.0 111.266 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 -12.53 58.49 Favored Glycine 0 C--O 1.22 -0.737 0 N-CA-C 115.471 0.949 . . . . 25.0 115.471 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.78 -23.65 76.73 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 110.011 -1.235 . . . . 25.0 110.011 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -82.27 126.68 32.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p -86.83 -17.78 32.57 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.14 0.495 . . . . 25.0 109.827 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.75 -150.57 10.92 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.747 -0.661 . . . . 25.0 112.2 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.27 165.42 38.71 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -135.46 163.57 29.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.2 m -102.85 143.49 32.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.68 -174.29 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.949 -2.241 . . . . 25.0 104.949 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.1 178.4 44.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 118.776 -1.678 . . . . 25.0 114.568 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -68.52 -178.27 1.81 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.703 2.936 . . . . 25.0 113.171 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -66.29 0.32 2.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.461 -1.245 . . . . 25.0 113.439 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -134.22 154.46 51.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 64.78 -167.95 0.21 Allowed 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.444 1.09 . . . . 25.0 109.448 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.71 -101.74 1.89 Allowed Glycine 0 C--O 1.221 -0.695 0 C-N-CA 121.115 -0.564 . . . . 25.0 111.861 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -123.74 64.16 30.77 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.07 -18.48 30.89 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.541 1.324 . . . . 25.0 115.541 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.3 m -92.48 125.47 37.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.926 0.393 . . . . 25.0 111.516 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.03 128.75 35.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 171.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 m -119.47 130.98 55.51 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.567 -2.383 . . . . 25.0 104.567 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.22 151.1 19.82 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.028 -0.669 . . . . 25.0 112.033 -169.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 t -118.52 149.3 41.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.801 -1.09 . . . . 25.0 108.241 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 C--O 1.25 1.11 0 N-CA-C 103.19 -2.892 . . . . 25.0 103.19 176.814 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 CA-C-O 118.238 -1.312 . . . . 25.0 111.159 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 54.13 50.61 16.16 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 117.859 0.83 . . . . 25.0 111.864 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.72 -17.14 27.51 Favored Glycine 0 C--O 1.226 -0.403 0 CA-C-N 115.488 -0.778 . . . . 25.0 114.021 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 144.01 28.32 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.22 1.193 . . . . 25.0 114.22 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 83.6 Cg_endo -72.35 144.74 81.43 Favored 'Cis proline' 0 C--N 1.354 0.86 0 CA-C-N 118.059 0.342 . . . . 25.0 112.637 -1.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.14 -66.82 0.52 Allowed Glycine 0 C--O 1.226 -0.399 0 N-CA-C 110.664 -0.975 . . . . 25.0 110.664 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.22 123.21 37.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.47 0.652 . . . . 25.0 111.906 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.2 -12.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.034 -0.53 . . . . 25.0 112.334 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -64.8 -47.79 76.77 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.828 -0.545 . . . . 25.0 110.71 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.47 -29.71 69.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.41 -0.516 . . . . 25.0 111.194 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.12 -39.46 89.94 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.679 -0.638 . . . . 25.0 109.497 175.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -64.34 -43.49 94.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.826 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.28 -42.04 94.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.831 0.348 . . . . 25.0 110.557 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -60.7 -46.37 90.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.693 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 m -64.68 -42.03 95.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.173 0.435 . . . . 25.0 112.173 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -62.98 -34.44 77.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.991 -0.443 . . . . 25.0 111.389 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.51 70.07 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.774 0.321 . . . . 25.0 111.616 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -75.18 -11.82 60.16 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 122.156 -0.34 . . . . 25.0 111.903 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.0 131.56 1.34 Allowed Glycine 0 C--O 1.214 -1.117 0 C-N-CA 120.485 -0.864 . . . . 25.0 111.944 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.53 -15.78 64.42 Favored Glycine 0 C--O 1.222 -0.625 0 C-N-CA 121.026 -0.607 . . . . 25.0 114.549 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.56 -26.49 74.02 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.247 -1.141 . . . . 25.0 110.247 175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -79.01 124.93 28.74 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 106.502 -1.666 . . . . 25.0 106.502 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.5 p -90.87 -16.67 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.67 -152.24 11.68 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.708 -0.678 . . . . 25.0 112.297 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.41 166.47 39.72 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.408 -0.677 . . . . 25.0 111.408 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -132.05 168.85 17.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -111.21 142.87 42.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.78 0.324 . . . . 25.0 111.253 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.06 -177.09 5.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.26 39.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 119.165 -1.493 . . . . 25.0 114.317 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -69.68 -178.84 2.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.961 3.107 . . . . 25.0 114.779 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -65.02 -3.07 3.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.263 -1.335 . . . . 25.0 113.599 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -147.06 165.4 30.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt 64.06 -159.02 0.3 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.09 0.956 . . . . 25.0 108.736 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.78 -122.49 4.97 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.247 0.359 . . . . 25.0 112.902 -176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.425 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 60.1 m80 -122.79 64.03 21.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -74.54 -16.25 21.56 Favored 'Trans proline' 0 C--N 1.352 0.736 0 N-CA-C 115.831 1.435 . . . . 25.0 115.831 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.9 m -85.4 119.28 25.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.004 0.43 . . . . 25.0 111.156 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.1 m -81.63 134.43 35.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 173.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.8 m -127.6 132.98 49.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 104.201 -2.518 . . . . 25.0 104.201 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -97.61 152.24 19.26 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 119.763 -0.775 . . . . 25.0 113.024 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -119.12 154.5 33.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.96 -1.018 . . . . 25.0 108.57 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 102.154 -3.276 . . . . 25.0 102.154 176.185 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 CA-C-O 118.388 -1.229 . . . . 25.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 54.57 48.03 21.33 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.87 0.835 . . . . 25.0 111.707 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.02 -23.0 22.91 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.679 -0.691 . . . . 25.0 113.11 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.37 143.33 26.38 Favored Pre-proline 0 C--O 1.242 0.699 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -177.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.446 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 84.1 Cg_endo -74.74 144.49 81.14 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.966 0.309 . . . . 25.0 112.592 -1.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -64.42 0.58 Allowed Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.89 -0.884 . . . . 25.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -118.85 126.39 51.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.43 0.633 . . . . 25.0 112.402 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.38 -16.78 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.767 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.0 -48.73 64.95 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.839 -0.538 . . . . 25.0 111.432 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.83 -30.5 71.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.806 -0.559 . . . . 25.0 110.537 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.6 -40.9 96.32 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.627 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.68 -42.85 93.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 118.125 0.421 . . . . 25.0 110.926 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.55 -47.0 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 25.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -64.02 -43.33 95.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -62.88 -34.52 77.57 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.016 -0.428 . . . . 25.0 110.842 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.22 72.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.733 0.272 . . . . 25.0 111.733 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.94 -17.13 62.69 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.23 132.14 1.48 Allowed Glycine 0 C--O 1.217 -0.924 0 C-N-CA 120.67 -0.776 . . . . 25.0 112.148 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.37 -14.75 60.26 Favored Glycine 0 C--O 1.222 -0.613 0 N-CA-C 115.866 1.106 . . . . 25.0 115.866 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.69 -23.22 78.28 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 110.558 -1.017 . . . . 25.0 110.558 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -81.19 125.23 30.02 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.52 -17.79 31.28 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 25.0 109.863 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.5 -150.44 12.06 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.714 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.65 166.85 38.18 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.865 -0.894 . . . . 25.0 110.865 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -131.97 165.18 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -111.71 139.98 46.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.706 0.289 . . . . 25.0 110.836 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.46 -175.54 4.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.9 -176.15 43.89 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.019 -1.562 . . . . 25.0 114.428 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.28 -177.97 1.61 Allowed 'Trans proline' 0 C--O 1.218 -0.491 0 C-N-CA 123.911 3.074 . . . . 25.0 113.743 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -65.0 -3.04 3.09 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.291 -1.322 . . . . 25.0 113.638 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -136.12 161.23 36.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 mt 62.37 -160.79 0.3 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -171.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.75 -103.32 2.6 Favored Glycine 0 C--O 1.221 -0.694 0 N-CA-C 111.389 -0.684 . . . . 25.0 111.389 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.446 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 33.7 m80 -128.22 67.35 74.88 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -71.22 -18.25 30.56 Favored 'Trans proline' 0 C--N 1.349 0.595 0 N-CA-C 115.98 1.492 . . . . 25.0 115.98 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -92.31 115.5 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.432 . . . . 25.0 111.406 -173.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.96 132.3 35.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 174.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.8 m -129.14 134.6 48.12 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.48 -2.415 . . . . 25.0 104.48 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.86 151.01 20.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -168.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -117.08 156.6 27.3 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.75 -1.114 . . . . 25.0 108.605 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 102.446 -3.168 . . . . 25.0 102.446 176.464 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.201 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 55.1 45.55 25.91 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 117.744 0.772 . . . . 25.0 111.853 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.56 -19.8 30.65 Favored Glycine 0 C--O 1.226 -0.401 0 CA-C-N 115.63 -0.714 . . . . 25.0 113.728 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 148.38 36.65 Favored Pre-proline 0 C--O 1.244 0.773 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.13 138.44 52.59 Favored 'Cis proline' 0 C--N 1.352 0.739 0 N-CA-C 112.999 0.346 . . . . 25.0 112.999 -0.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.69 -66.64 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -115.23 127.65 55.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.82 -14.55 31.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.702 -0.681 . . . . 25.0 112.222 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -67.64 -50.52 57.54 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.79 -0.569 . . . . 25.0 111.078 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -66.48 -29.36 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 25.0 110.279 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -64.19 -40.86 96.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 25.0 109.445 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 t -65.99 -44.8 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.659 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -58.91 -43.24 91.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.938 0.336 . . . . 25.0 110.986 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.66 -48.21 82.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.311 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 m -63.81 -43.07 97.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.961 0.356 . . . . 25.0 111.961 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -61.91 -36.2 80.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.138 -0.352 . . . . 25.0 110.912 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.43 72.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.85 -18.52 63.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.038 0.385 . . . . 25.0 112.038 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.91 133.26 1.69 Allowed Glycine 0 C--O 1.217 -0.912 0 C-N-CA 120.537 -0.84 . . . . 25.0 112.346 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -14.07 59.59 Favored Glycine 0 C--O 1.221 -0.677 0 N-CA-C 115.742 1.057 . . . . 25.0 115.742 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.34 -21.75 79.35 Favored Glycine 0 C--O 1.222 -0.646 0 N-CA-C 110.811 -0.916 . . . . 25.0 110.811 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -82.4 126.63 32.42 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -83.47 -21.64 32.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.477 0.656 . . . . 25.0 110.541 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.88 -149.14 12.61 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.641 -0.984 . . . . 25.0 110.641 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.38 165.64 38.76 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -130.93 161.37 32.04 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 m -100.68 140.42 34.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.775 0.321 . . . . 25.0 111.676 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.62 -176.68 5.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 104.794 -2.299 . . . . 25.0 104.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.48 179.09 45.11 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.509 -1.329 . . . . 25.0 113.186 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -68.97 -179.41 2.54 Favored 'Trans proline' 0 C--O 1.219 -0.452 0 C-N-CA 123.131 2.554 . . . . 25.0 113.615 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.91 -3.14 6.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.494 -1.23 . . . . 25.0 112.768 172.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -131.72 154.75 48.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt 65.83 -164.69 0.23 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.434 1.093 . . . . 25.0 108.662 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -99.28 -110.14 3.06 Favored Glycine 0 C--O 1.221 -0.674 0 C-N-CA 121.261 -0.495 . . . . 25.0 112.236 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -123.12 63.26 21.99 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -73.99 -17.94 21.88 Favored 'Trans proline' 0 C--N 1.354 0.817 0 N-CA-C 115.353 1.251 . . . . 25.0 115.353 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -88.7 115.84 26.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.124 0.488 . . . . 25.0 111.543 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.98 128.83 34.14 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 172.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.1 m -121.35 132.38 54.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.65 149.19 22.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.297 0.851 . . . . 25.0 113.297 -167.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -111.73 154.71 24.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.471 -1.24 . . . . 25.0 108.01 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.254 1.341 0 N-CA-C 103.642 -2.725 . . . . 25.0 103.642 177.621 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.086 0 CA-C-O 118.569 -1.128 . . . . 25.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 55.9 46.23 22.48 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.576 0.703 . . . . 25.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.31 -23.12 16.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.384 -0.826 . . . . 25.0 112.828 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.58 152.12 40.62 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.84 124.01 7.82 Favored 'Cis proline' 0 C--N 1.35 0.64 0 N-CA-C 114.573 0.951 . . . . 25.0 114.573 0.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.76 -68.83 0.45 Allowed Glycine 0 C--O 1.229 -0.204 0 CA-C-N 115.985 -0.552 . . . . 25.0 112.231 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -89.99 93.93 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.056 0.931 . . . . 25.0 113.006 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -21.41 62.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.379 -0.828 . . . . 25.0 112.25 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -72.83 -43.62 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.751 -0.593 . . . . 25.0 110.031 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.5 -32.65 74.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 25.0 109.951 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.42 -42.0 98.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.218 0.532 . . . . 25.0 109.99 174.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -62.37 -44.76 95.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.783 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.024 0.375 . . . . 25.0 111.088 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -60.51 -47.4 86.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.324 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 m -63.19 -42.8 99.4 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -62.3 -36.36 81.88 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.343 -0.223 . . . . 25.0 110.967 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.51 71.19 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.69 -18.43 62.82 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.49 133.95 1.73 Allowed Glycine 0 C--O 1.217 -0.946 0 C-N-CA 120.169 -1.015 . . . . 25.0 112.439 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.97 -15.37 60.27 Favored Glycine 0 C--O 1.221 -0.715 0 N-CA-C 116.001 1.16 . . . . 25.0 116.001 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.64 77.63 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 110.767 -0.933 . . . . 25.0 110.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -82.86 125.14 31.0 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.4 p -87.12 -19.69 28.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.18 0.514 . . . . 25.0 110.439 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.15 -150.63 11.84 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.869 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.35 165.79 38.43 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.711 -0.956 . . . . 25.0 110.711 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -138.49 167.17 22.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.694 -1.224 . . . . 25.0 107.694 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -110.48 144.0 39.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.95 -171.85 3.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 104.424 -2.435 . . . . 25.0 104.424 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.55 -179.61 44.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 119.202 -1.475 . . . . 25.0 113.502 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -68.48 -179.26 2.24 Favored 'Trans proline' 0 C--O 1.219 -0.441 0 C-N-CA 123.54 2.827 . . . . 25.0 113.672 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -67.58 -2.95 7.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.443 -1.253 . . . . 25.0 113.002 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -129.26 158.07 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt 63.54 -151.63 0.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 -171.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -121.33 -101.39 1.74 Allowed Glycine 0 C--O 1.219 -0.798 0 C-N-CA 121.309 -0.472 . . . . 25.0 112.293 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -121.22 58.06 7.22 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.12 -20.09 16.98 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 116.65 -1.767 . . . . 25.0 115.271 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.6 m -85.16 118.89 24.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.224 0.535 . . . . 25.0 111.839 -173.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.97 132.05 35.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 m -125.05 131.11 53.4 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 104.806 -2.294 . . . . 25.0 104.806 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.9 m -96.24 148.64 22.52 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.279 -0.568 . . . . 25.0 111.89 -170.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -115.49 154.75 28.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.744 -1.116 . . . . 25.0 108.072 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 102.245 -3.243 . . . . 25.0 102.245 177.176 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.153 0 CA-C-O 118.194 -1.337 . . . . 25.0 111.305 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 54.43 48.32 20.86 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.153 0.976 . . . . 25.0 112.39 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.74 -20.14 29.54 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.882 -0.599 . . . . 25.0 113.071 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -102.45 142.84 25.4 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.622 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 83.9 Cg_endo -72.52 144.48 80.74 Favored 'Cis proline' 0 C--N 1.352 0.739 0 CA-C-N 118.043 0.337 . . . . 25.0 112.082 -1.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.97 -66.31 0.54 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.28 -1.128 . . . . 25.0 110.28 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -125.0 123.95 40.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.95 -18.07 38.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.815 -0.629 . . . . 25.0 112.039 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.1 -45.69 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.058 -0.401 . . . . 25.0 110.63 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.09 -33.59 76.11 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.783 -0.573 . . . . 25.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.99 -39.29 90.2 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.621 0.724 . . . . 25.0 109.617 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.3 t -63.98 -43.72 94.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.76 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.88 -42.4 99.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.952 0.342 . . . . 25.0 110.33 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.67 -47.57 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.649 0.262 . . . . 25.0 110.918 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.338 0.495 . . . . 25.0 112.338 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -62.13 -35.82 79.92 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.885 -0.509 . . . . 25.0 110.774 177.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.77 69.81 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.72 -16.38 63.32 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.38 131.75 1.41 Allowed Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.523 -0.846 . . . . 25.0 111.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.82 -13.32 56.37 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 115.951 1.14 . . . . 25.0 115.951 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.44 -22.83 78.24 Favored Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.402 -1.079 . . . . 25.0 110.402 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -84.96 126.66 33.7 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.574 -0.898 . . . . 25.0 108.574 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -94.49 -13.39 26.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.84 0.353 . . . . 25.0 110.896 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.8 -154.8 14.89 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.447 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.84 165.23 37.92 Favored Glycine 0 C--O 1.236 0.269 0 C-N-CA 121.177 -0.535 . . . . 25.0 111.783 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.45 172.0 12.37 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -123.65 142.27 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 121.129 -0.228 . . . . 25.0 110.444 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -175.6 4.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.151 -2.166 . . . . 25.0 105.151 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.42 40.82 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.537 -1.316 . . . . 25.0 113.493 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -67.51 -176.01 0.81 Allowed 'Trans proline' 0 C--O 1.216 -0.606 0 C-N-CA 124.368 3.378 . . . . 25.0 114.604 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.1 -3.6 2.82 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.283 -1.326 . . . . 25.0 113.354 172.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -141.21 164.27 30.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.1 mt 64.46 -162.23 0.27 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.277 1.031 . . . . 25.0 108.456 -173.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.09 -112.44 3.12 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.917 0.731 . . . . 25.0 112.431 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.622 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 45.9 m80 -123.93 64.95 35.2 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -72.26 -17.78 27.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 N-CA-C 115.973 1.489 . . . . 25.0 115.973 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -90.47 115.57 27.73 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.657 0.383 . . . . 25.0 111.28 -174.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.67 141.5 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.1 m -138.06 138.33 38.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.866 -2.272 . . . . 25.0 104.866 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.4 m -96.31 155.7 16.65 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.385 -0.822 . . . . 25.0 113.0 -170.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -120.51 155.03 34.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.657 -1.156 . . . . 25.0 107.982 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--O 1.255 1.373 0 N-CA-C 102.931 -2.989 . . . . 25.0 102.931 177.754 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 118.524 -1.153 . . . . 25.0 111.213 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 55.29 49.17 17.67 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.801 0.801 . . . . 25.0 112.262 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.44 -29.55 8.84 Favored Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.634 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.1 147.43 33.02 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 122.493 -0.416 . . . . 25.0 111.782 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.51 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 97.1 Cg_endo -73.38 133.38 30.4 Favored 'Cis proline' 0 C--N 1.349 0.584 0 CA-C-N 118.125 0.366 . . . . 25.0 112.676 -2.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.55 -67.48 0.48 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -116.8 123.14 46.4 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.88 -13.33 42.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.168 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -67.46 -48.7 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.733 -0.604 . . . . 25.0 110.836 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.42 -31.42 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.066 0.46 . . . . 25.0 110.508 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.26 -42.59 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -62.7 -44.69 95.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 25.0 110.654 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.81 -41.67 96.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.627 0.251 . . . . 25.0 111.147 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.57 -45.69 91.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 25.0 110.62 177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.3 m -62.81 -42.58 99.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.051 -0.405 . . . . 25.0 111.712 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.61 -35.96 79.36 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.17 -0.331 . . . . 25.0 110.677 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.08 73.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.971 0.359 . . . . 25.0 111.971 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.31 -16.68 63.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.33 128.76 1.11 Allowed Glycine 0 C--O 1.217 -0.958 0 N-CA-C 111.143 -0.783 . . . . 25.0 111.143 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.3 -14.16 56.12 Favored Glycine 0 C--O 1.221 -0.689 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.78 -24.14 76.62 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.824 -0.911 . . . . 25.0 110.824 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -78.19 126.27 30.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -88.66 -16.72 31.65 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.04 -149.94 10.72 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.892 -0.67 . . . . 25.0 113.186 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 165.35 38.82 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 109.906 -1.278 . . . . 25.0 109.906 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -137.62 172.38 13.04 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 -178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -120.22 145.73 46.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.986 0.422 . . . . 25.0 112.089 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.48 -161.06 1.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 103.564 -2.754 . . . . 25.0 103.564 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.99 -167.9 30.03 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 119.699 -1.238 . . . . 25.0 116.12 172.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.73 167.33 13.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.62 2.213 . . . . 25.0 112.743 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -69.22 0.54 4.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 116.354 1.983 . . . . 25.0 116.354 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -107.3 149.32 27.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 mt 61.18 -155.2 0.36 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.55 -73.17 0.91 Allowed Glycine 0 C--O 1.219 -0.843 0 C-N-CA 120.858 -0.687 . . . . 25.0 113.129 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.51 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 41.6 m80 -136.52 68.84 60.69 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.77 -26.52 52.65 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 N-CA-C 117.26 1.984 . . . . 25.0 117.26 -176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.4 m -95.05 123.87 38.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.11 133.82 35.54 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.1 m -129.19 133.31 47.51 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.97 151.26 19.59 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.243 -0.583 . . . . 25.0 112.067 -171.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 t -121.89 155.33 35.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.128 -0.942 . . . . 25.0 109.002 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.252 1.23 0 N-CA-C 102.417 -3.179 . . . . 25.0 102.417 175.738 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.98 0 CA-C-O 118.531 -1.149 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 54.31 45.31 27.5 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.72 0.76 . . . . 25.0 111.866 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.24 -15.14 46.5 Favored Glycine 0 C--O 1.225 -0.462 0 CA-C-N 115.559 -0.746 . . . . 25.0 114.435 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 145.4 31.52 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.62 141.6 68.8 Favored 'Cis proline' 0 C--N 1.355 0.904 0 CA-C-N 117.949 0.303 . . . . 25.0 112.35 -1.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.92 -67.01 0.48 Allowed Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.961 -0.856 . . . . 25.0 110.961 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -122.67 121.58 36.74 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.49 40.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.665 -0.698 . . . . 25.0 111.858 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -67.91 -45.77 73.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.976 -0.452 . . . . 25.0 111.052 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.62 -34.39 77.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.193 0.521 . . . . 25.0 110.501 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.73 -41.72 98.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.628 0.728 . . . . 25.0 109.751 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 t -64.43 -44.75 90.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 25.0 111.16 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.73 -41.67 95.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.213 0.46 . . . . 25.0 110.97 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.8 m -63.98 -43.0 97.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.072 -0.392 . . . . 25.0 110.845 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.66 70.85 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.15 -18.34 63.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.789 0.328 . . . . 25.0 111.358 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.97 129.24 1.13 Allowed Glycine 0 C--O 1.219 -0.826 0 N-CA-C 111.023 -0.831 . . . . 25.0 111.023 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -13.96 54.41 Favored Glycine 0 C--O 1.223 -0.562 0 N-CA-C 116.239 1.256 . . . . 25.0 116.239 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.17 75.85 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 110.475 -1.05 . . . . 25.0 110.475 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -78.32 127.1 31.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -89.75 -15.75 31.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.692 -0.484 . . . . 25.0 109.692 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.42 -150.51 11.56 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.583 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.74 166.61 39.8 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.003 -1.239 . . . . 25.0 110.003 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -132.33 162.73 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 m -103.75 136.28 43.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.757 0.313 . . . . 25.0 111.251 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -173.06 3.83 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.324 -2.102 . . . . 25.0 105.324 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.91 -179.92 41.86 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 119.27 -1.443 . . . . 25.0 114.23 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -68.13 -176.06 0.96 Allowed 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 123.318 2.679 . . . . 25.0 113.253 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -65.37 0.6 1.4 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.018 -1.446 . . . . 25.0 113.495 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -142.78 163.36 33.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.6 mt 64.15 -163.63 0.26 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.319 1.048 . . . . 25.0 109.767 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.47 -110.12 2.61 Favored Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.421 -0.419 . . . . 25.0 112.37 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -124.13 63.55 32.61 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 112.778 0.659 . . . . 25.0 112.778 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -74.25 -17.33 21.69 Favored 'Trans proline' 0 C--N 1.352 0.752 0 N-CA-C 115.859 1.446 . . . . 25.0 115.859 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.0 m -91.29 116.33 28.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.109 0.481 . . . . 25.0 112.032 -173.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -81.44 131.66 35.29 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 172.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.4 m -125.82 132.73 52.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 104.608 -2.367 . . . . 25.0 104.608 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -169.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -123.12 155.48 36.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.953 -1.021 . . . . 25.0 109.239 -177.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 . . . . . 0 C--O 1.253 1.26 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 176.133 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 118.402 -1.221 . . . . 25.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 52.21 50.55 18.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 117.919 0.86 . . . . 25.0 112.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.75 -21.12 24.39 Favored Glycine 0 C--O 1.225 -0.419 0 CA-C-N 115.425 -0.807 . . . . 25.0 113.699 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.58 144.28 28.33 Favored Pre-proline 0 C--O 1.242 0.689 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.54 143.22 77.15 Favored 'Cis proline' 0 C--N 1.354 0.853 0 O-C-N 121.615 0.271 . . . . 25.0 112.569 -0.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.66 -64.1 0.57 Allowed Glycine 0 C--O 1.226 -0.354 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.07 127.63 53.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.288 0.566 . . . . 25.0 112.276 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.86 -15.9 29.15 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.939 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -66.03 -51.23 60.11 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.937 -0.477 . . . . 25.0 110.62 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.3 -31.12 72.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.403 0.62 . . . . 25.0 110.796 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.32 -41.18 90.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.402 0.62 . . . . 25.0 109.791 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -64.82 -43.92 91.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.231 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -58.98 -43.3 91.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.776 0.262 . . . . 25.0 110.605 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -60.38 -47.92 84.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.564 -0.289 . . . . 25.0 110.872 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.877 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -63.06 -35.3 79.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.237 -0.29 . . . . 25.0 111.129 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.07 -31.56 72.51 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.96 -18.63 63.36 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.115 0.413 . . . . 25.0 112.115 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.02 134.68 1.93 Allowed Glycine 0 C--O 1.218 -0.881 0 C-N-CA 120.289 -0.958 . . . . 25.0 112.164 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.87 -16.2 61.28 Favored Glycine 0 C--O 1.22 -0.753 0 N-CA-C 115.828 1.091 . . . . 25.0 115.828 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.77 -23.11 77.36 Favored Glycine 0 C--O 1.223 -0.564 0 N-CA-C 111.12 -0.792 . . . . 25.0 111.12 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.38 125.19 29.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -87.68 -20.22 26.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.513 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.27 11.01 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.593 -1.003 . . . . 25.0 110.593 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.62 168.73 40.78 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.498 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -127.7 168.16 15.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 m -112.56 138.99 48.52 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.12 -173.55 3.86 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 104.687 -2.338 . . . . 25.0 104.687 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.64 -175.61 38.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.141 -1.504 . . . . 25.0 114.973 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.56 -177.52 1.21 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.652 2.901 . . . . 25.0 113.683 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -66.46 0.5 2.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.154 -1.384 . . . . 25.0 113.204 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -145.4 165.68 27.79 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.4 mt 64.47 -166.44 0.23 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.347 1.059 . . . . 25.0 109.294 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.19 -110.59 2.6 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 121.45 -0.405 . . . . 25.0 112.256 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -124.78 64.93 43.57 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 114.328 1.233 . . . . 25.0 114.328 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -72.76 -17.62 25.71 Favored 'Trans proline' 0 C--N 1.352 0.737 0 N-CA-C 116.037 1.514 . . . . 25.0 116.037 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.5 m -89.94 119.65 30.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 25.0 111.411 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -80.93 128.56 33.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -122.28 129.5 52.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.78 148.59 22.75 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -167.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -112.6 155.72 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.607 -1.179 . . . . 25.0 108.466 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--O 1.255 1.369 0 N-CA-C 102.083 -3.303 . . . . 25.0 102.083 175.758 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 56.27 41.93 28.57 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.713 0.768 . . . . 25.0 111.593 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.98 -23.0 22.8 Favored Glycine 0 C--O 1.229 -0.191 0 CA-C-N 115.095 -0.957 . . . . 25.0 113.224 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.34 150.49 37.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 122.182 -0.599 . . . . 25.0 111.701 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.93 129.64 17.13 Favored 'Cis proline' 0 C--N 1.35 0.626 0 N-CA-C 114.427 0.895 . . . . 25.0 114.427 0.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.05 -67.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 110.833 -0.907 . . . . 25.0 110.833 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -90.31 88.1 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.099 0.952 . . . . 25.0 111.968 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.81 -24.06 63.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.311 -0.859 . . . . 25.0 111.453 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -70.97 -44.62 65.61 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.128 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -63.79 -36.18 83.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 25.0 110.073 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -62.33 -41.33 98.48 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.154 0.502 . . . . 25.0 109.94 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -64.66 -46.14 83.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.266 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -62.07 -40.14 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 118.312 0.505 . . . . 25.0 111.016 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.58 -47.61 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 176.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 m -63.47 -43.73 96.48 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.938 -0.305 . . . . 25.0 111.66 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -60.43 -35.29 75.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.061 -0.399 . . . . 25.0 111.17 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.34 70.97 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.7 -16.13 62.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.788 0.327 . . . . 25.0 111.73 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.12 124.65 0.79 Allowed Glycine 0 C--O 1.22 -0.776 0 N-CA-C 110.594 -1.002 . . . . 25.0 110.594 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.48 50.79 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 116.373 1.309 . . . . 25.0 116.373 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.28 -23.34 78.1 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 110.867 -0.893 . . . . 25.0 110.867 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -75.72 128.45 35.22 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -85.34 -18.96 32.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.287 -0.635 . . . . 25.0 109.287 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.11 9.43 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.754 -0.657 . . . . 25.0 112.917 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.18 166.72 39.69 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.722 -1.351 . . . . 25.0 109.722 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.81 164.1 27.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.425 -1.324 . . . . 25.0 107.425 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.5 m -110.26 134.35 52.34 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.035 -0.358 . . . . 25.0 110.035 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.12 -170.02 3.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.215 -2.143 . . . . 25.0 105.215 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -177.34 43.59 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 119.139 -1.505 . . . . 25.0 114.77 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.81 -176.18 0.92 Allowed 'Trans proline' 0 C--O 1.219 -0.443 0 C-N-CA 124.162 3.241 . . . . 25.0 113.454 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -63.5 -2.86 1.76 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.039 -1.437 . . . . 25.0 113.808 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -134.96 156.53 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.4 mt 64.68 -170.74 0.19 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.521 1.128 . . . . 25.0 109.509 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.24 -94.75 1.71 Allowed Glycine 0 C--O 1.221 -0.663 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.617 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -127.69 63.39 60.0 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 113.939 1.089 . . . . 25.0 113.939 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -71.76 -20.15 26.65 Favored 'Trans proline' 0 C--N 1.352 0.754 0 N-CA-C 115.892 1.458 . . . . 25.0 115.892 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.7 m -96.43 118.44 32.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 25.0 112.142 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 m -81.07 131.65 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 m -127.42 134.09 49.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 104.419 -2.438 . . . . 25.0 104.419 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -96.56 153.25 17.95 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.121 -0.632 . . . . 25.0 112.338 -169.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -126.01 153.93 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.283 -0.871 . . . . 25.0 109.584 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 C--O 1.25 1.097 0 N-CA-C 103.371 -2.826 . . . . 25.0 103.371 179.004 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.968 0 CA-C-O 118.527 -1.152 . . . . 25.0 111.311 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 54.78 44.99 27.59 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 117.639 0.719 . . . . 25.0 111.741 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.61 32.76 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.766 -0.652 . . . . 25.0 114.096 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.28 146.09 32.06 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 76.2 Cg_endo -72.28 143.17 76.4 Favored 'Cis proline' 0 C--N 1.354 0.83 0 CA-C-N 118.002 0.322 . . . . 25.0 112.51 -1.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.94 -65.18 0.56 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 110.665 -0.974 . . . . 25.0 110.665 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -118.39 123.22 44.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.93 0.715 . . . . 25.0 112.93 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 -16.76 35.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.727 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -66.63 -50.06 64.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.1 -0.375 . . . . 25.0 110.74 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -64.0 -33.04 74.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 25.0 110.358 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.57 -42.34 98.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.204 0.525 . . . . 25.0 109.59 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.4 -45.45 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.731 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.55 -41.19 94.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.015 0.371 . . . . 25.0 110.945 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.63 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.01 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.1 -43.32 95.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -62.72 -35.01 78.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.725 0.298 . . . . 25.0 110.772 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.6 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.39 -18.65 63.78 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.22 132.85 1.61 Allowed Glycine 0 C--O 1.216 -0.991 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.57 -15.64 57.63 Favored Glycine 0 C--O 1.22 -0.756 0 N-CA-C 116.084 1.194 . . . . 25.0 116.084 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.86 75.42 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 110.862 -0.895 . . . . 25.0 110.862 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -79.76 127.9 32.78 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -97.21 -13.32 22.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.897 0.38 . . . . 25.0 110.934 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.89 -155.13 18.89 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.41 165.17 38.62 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.86 -0.896 . . . . 25.0 110.86 178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -132.98 162.62 31.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.948 -1.13 . . . . 25.0 107.948 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.1 m -106.87 139.37 41.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 25.0 111.802 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.58 -173.37 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.759 -2.312 . . . . 25.0 104.759 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.77 43.49 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 119.011 -1.566 . . . . 25.0 115.411 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -68.56 -177.25 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.793 2.995 . . . . 25.0 113.341 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -64.49 -3.01 2.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.166 -1.379 . . . . 25.0 113.718 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -135.79 158.25 44.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 mt 63.63 -165.23 0.24 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.266 1.026 . . . . 25.0 108.938 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.37 -100.29 1.92 Allowed Glycine 0 C--O 1.218 -0.863 0 CA-C-O 121.592 0.551 . . . . 25.0 112.341 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.409 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 29.9 m80 -127.19 64.86 62.95 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.94 -17.79 28.41 Favored 'Trans proline' 0 C--N 1.352 0.748 0 N-CA-C 115.82 1.431 . . . . 25.0 115.82 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.9 m -93.45 117.52 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.852 0.358 . . . . 25.0 111.721 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.09 133.55 35.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 171.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 132.88 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 103.839 -2.652 . . . . 25.0 103.839 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.41 151.37 19.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 -168.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -117.22 154.7 30.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.455 -1.248 . . . . 25.0 108.62 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.251 1.177 0 N-CA-C 102.522 -3.14 . . . . 25.0 102.522 176.788 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.164 0 CA-C-O 118.591 -1.116 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 55.23 41.8 31.06 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.647 0.737 . . . . 25.0 111.963 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.47 -12.71 54.82 Favored Glycine 0 C--O 1.224 -0.494 0 CA-C-N 115.548 -0.751 . . . . 25.0 114.593 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.74 144.52 29.75 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 117.838 0.819 . . . . 25.0 113.134 -177.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -72.21 143.12 76.18 Favored 'Cis proline' 0 C--N 1.354 0.817 0 CA-C-N 118.04 0.336 . . . . 25.0 111.851 -1.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.71 -68.03 0.45 Allowed Glycine 0 C--O 1.224 -0.511 0 N-CA-C 110.898 -0.881 . . . . 25.0 110.898 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -121.64 120.54 35.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -21.84 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.815 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -67.96 -47.74 67.78 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.75 -0.593 . . . . 25.0 111.397 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.55 -35.22 78.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 25.0 110.315 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.26 -41.22 97.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.148 0.499 . . . . 25.0 109.84 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.08 -44.63 91.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 25.0 110.839 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.61 -43.73 93.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.08 0.4 . . . . 25.0 110.665 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.209 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 m -63.86 -43.24 96.69 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.6 mtp85 -63.08 -34.61 77.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.072 -0.393 . . . . 25.0 110.804 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.12 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.879 0.325 . . . . 25.0 111.879 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.71 -17.51 62.82 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.26 130.11 1.21 Allowed Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.651 -0.785 . . . . 25.0 111.684 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.46 -13.01 57.73 Favored Glycine 0 C--O 1.22 -0.75 0 N-CA-C 116.306 1.282 . . . . 25.0 116.306 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.82 -23.57 77.83 Favored Glycine 0 C--O 1.224 -0.525 0 N-CA-C 110.411 -1.076 . . . . 25.0 110.411 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -80.55 127.9 32.97 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -89.23 -18.14 27.66 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.06 0.457 . . . . 25.0 109.867 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.0 -149.25 9.79 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.258 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.08 168.3 39.73 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.487 -0.645 . . . . 25.0 111.487 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -131.52 169.12 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -114.52 136.58 52.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.829 0.347 . . . . 25.0 110.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.61 -171.94 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.96 41.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.035 -1.555 . . . . 25.0 114.863 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -67.78 -178.37 1.59 Allowed 'Trans proline' 0 CA--C 1.514 -0.487 0 C-N-CA 123.368 2.712 . . . . 25.0 112.736 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -66.39 0.59 2.06 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.347 -1.297 . . . . 25.0 113.184 173.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -139.29 162.85 33.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt 63.88 -167.31 0.22 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.325 1.05 . . . . 25.0 109.389 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.4 -104.5 2.15 Favored Glycine 0 C--O 1.221 -0.719 0 C-N-CA 121.384 -0.436 . . . . 25.0 112.363 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -125.27 63.7 43.68 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -73.39 -17.61 23.82 Favored 'Trans proline' 0 C--N 1.354 0.85 0 N-CA-C 116.086 1.533 . . . . 25.0 116.086 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -91.5 119.08 31.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.841 0.353 . . . . 25.0 111.363 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -81.1 129.81 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.579 -1.637 . . . . 25.0 106.579 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -124.76 129.91 51.38 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 103.709 -2.7 . . . . 25.0 103.709 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.7 m -96.4 153.51 17.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -166.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 t -121.26 153.72 37.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.979 -1.009 . . . . 25.0 108.908 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--O 1.252 1.194 0 N-CA-C 103.603 -2.74 . . . . 25.0 103.603 179.88 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.097 0 CA-C-O 118.544 -1.142 . . . . 25.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 54.67 41.63 31.8 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.669 0.747 . . . . 25.0 111.687 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.8 -19.23 38.66 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-N 115.117 -0.947 . . . . 25.0 114.281 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.77 147.75 34.32 Favored Pre-proline 0 C--O 1.242 0.685 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -177.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.31 136.28 42.63 Favored 'Cis proline' 0 C--N 1.353 0.786 0 N-CA-C 113.996 0.729 . . . . 25.0 113.996 0.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.52 -67.93 0.52 Allowed Glycine 0 C--O 1.225 -0.427 0 N-CA-C 110.549 -1.02 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -98.55 91.49 5.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.964 0.887 . . . . 25.0 111.561 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.6 -23.99 61.82 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.637 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.18 -43.62 67.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.004 -0.435 . . . . 25.0 109.955 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -62.53 -36.25 82.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.162 0.506 . . . . 25.0 110.245 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.67 -41.19 98.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.277 0.561 . . . . 25.0 110.032 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -65.49 -44.2 87.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.476 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.62 -41.01 96.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.031 0.378 . . . . 25.0 110.783 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -59.08 -47.44 85.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 m -64.17 -44.52 91.84 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -61.79 -34.44 75.89 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.072 -0.392 . . . . 25.0 111.301 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.38 71.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.43 -17.5 62.38 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.205 -0.309 . . . . 25.0 111.786 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.89 131.84 1.36 Allowed Glycine 0 C--O 1.219 -0.811 0 C-N-CA 120.636 -0.792 . . . . 25.0 112.302 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.06 -11.57 58.81 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 116.002 1.161 . . . . 25.0 116.002 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.37 77.67 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.0 -1.24 . . . . 25.0 110.0 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -81.7 126.65 32.04 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -77.01 -25.39 52.57 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.691 0.758 . . . . 25.0 110.082 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.26 -147.39 11.04 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.026 -1.23 . . . . 25.0 110.026 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.71 162.99 34.41 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -131.0 158.87 39.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.7 m -102.69 132.49 48.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.404 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.82 -175.34 4.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 104.7 -2.333 . . . . 25.0 104.7 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.3 -177.2 42.36 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.271 -1.443 . . . . 25.0 112.853 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -67.61 -179.49 2.02 Favored 'Trans proline' 0 C--O 1.219 -0.459 0 C-N-CA 122.665 2.244 . . . . 25.0 113.022 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -66.58 -2.91 5.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.377 -1.283 . . . . 25.0 112.784 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -134.81 162.02 33.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.034 -1.469 . . . . 25.0 107.034 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 mt 63.83 -162.47 0.28 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.154 0.982 . . . . 25.0 108.674 -172.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.32 -110.63 3.34 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.829 -0.509 . . . . 25.0 111.829 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -123.63 63.29 26.93 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 113.671 0.989 . . . . 25.0 113.671 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -73.01 -18.27 24.25 Favored 'Trans proline' 0 C--N 1.353 0.773 0 N-CA-C 115.523 1.316 . . . . 25.0 115.523 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -89.19 114.84 26.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.241 0.544 . . . . 25.0 111.29 -173.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.05 125.08 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.532 -1.655 . . . . 25.0 106.532 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -119.13 131.03 55.86 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 104.453 -2.425 . . . . 25.0 104.453 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -96.27 143.96 26.88 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.134 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -106.11 155.84 19.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.059 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.256 1.416 0 N-CA-C 103.641 -2.726 . . . . 25.0 103.641 176.739 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 CA-C-O 118.339 -1.256 . . . . 25.0 111.327 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 54.32 46.06 25.93 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 117.984 0.892 . . . . 25.0 112.057 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.66 -14.46 51.64 Favored Glycine 0 C--O 1.224 -0.51 0 CA-C-N 115.709 -0.678 . . . . 25.0 114.504 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -108.39 143.68 27.95 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 89.7 Cg_endo -72.08 145.88 84.46 Favored 'Cis proline' 0 C--N 1.352 0.735 0 CA-C-N 117.971 0.311 . . . . 25.0 111.903 -2.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.88 -67.11 0.51 Allowed Glycine 0 CA--C 1.51 -0.279 0 N-CA-C 109.829 -1.308 . . . . 25.0 109.829 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.66 119.88 30.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.573 0.701 . . . . 25.0 112.193 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.78 -20.42 46.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.844 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.77 -45.59 74.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.681 -0.637 . . . . 25.0 111.325 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -61.98 -34.99 77.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 25.0 110.612 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.92 -41.36 97.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.389 0.614 . . . . 25.0 109.839 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.59 -43.9 92.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.204 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.84 -42.46 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.038 -0.414 . . . . 25.0 110.908 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -58.95 -47.73 84.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.55 -44.28 94.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.36 -35.46 77.52 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.098 -0.376 . . . . 25.0 111.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -30.95 71.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -17.73 64.01 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.027 0.38 . . . . 25.0 112.027 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.74 131.41 1.37 Allowed Glycine 0 C--O 1.22 -0.766 0 C-N-CA 120.215 -0.993 . . . . 25.0 112.246 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.34 -14.64 54.77 Favored Glycine 0 C--O 1.22 -0.754 0 N-CA-C 116.085 1.194 . . . . 25.0 116.085 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.98 -24.0 77.18 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 110.569 -1.012 . . . . 25.0 110.569 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -81.47 127.21 32.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.5 p -93.8 -14.25 26.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 -153.4 13.0 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.843 -0.694 . . . . 25.0 112.685 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.6 165.66 39.02 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.571 -1.412 . . . . 25.0 109.571 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -134.46 164.54 27.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.737 -1.209 . . . . 25.0 107.737 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.1 m -109.07 139.01 44.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.996 -0.372 . . . . 25.0 109.996 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.67 -171.69 3.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.97 -178.15 45.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.014 -1.565 . . . . 25.0 114.942 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.65 -175.59 0.95 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.891 3.061 . . . . 25.0 113.77 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -63.2 -2.84 1.51 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.133 -1.394 . . . . 25.0 114.285 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -138.08 160.56 39.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt 64.45 -164.66 0.25 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.669 1.188 . . . . 25.0 108.725 -173.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.06 -99.49 1.85 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.992 -0.623 . . . . 25.0 111.999 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 74.8 m-70 -128.75 65.11 71.77 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 122.297 -0.531 . . . . 25.0 112.227 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.81 -19.23 27.59 Favored 'Trans proline' 0 C--N 1.354 0.851 0 N-CA-C 116.376 1.644 . . . . 25.0 116.376 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.3 m -92.81 117.64 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.508 -173.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.05 134.39 35.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.4 m -129.66 133.75 47.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 104.483 -2.414 . . . . 25.0 104.483 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.43 152.37 18.68 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.081 -0.648 . . . . 25.0 112.111 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t -121.15 154.26 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.878 -1.055 . . . . 25.0 108.765 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.256 1.421 0 N-CA-C 102.618 -3.105 . . . . 25.0 102.618 177.734 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 118.5 -1.167 . . . . 25.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 54.93 45.98 25.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.803 0.811 . . . . 25.0 111.479 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.25 -24.12 17.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.0 -1.0 . . . . 25.0 113.058 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.98 146.1 30.91 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -177.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.4 132.3 25.25 Favored 'Cis proline' 0 C--N 1.351 0.705 0 N-CA-C 113.723 0.624 . . . . 25.0 113.723 0.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.15 -68.15 0.49 Allowed Glycine 0 C--O 1.226 -0.376 0 N-CA-C 111.571 -0.612 . . . . 25.0 111.571 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.65 98.44 9.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.779 0.8 . . . . 25.0 112.071 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.11 -23.78 61.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.017 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -71.34 -44.31 65.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.922 -0.486 . . . . 25.0 110.239 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -34.22 77.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 25.0 110.046 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.58 -40.44 95.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.116 0.484 . . . . 25.0 110.27 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -63.46 -42.36 98.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.548 -0.296 . . . . 25.0 110.729 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.32 -42.81 99.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.19 -0.319 . . . . 25.0 110.679 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.0 -45.14 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.723 0.297 . . . . 25.0 110.565 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 m -62.37 -44.46 96.42 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.003 -0.436 . . . . 25.0 111.483 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -61.51 -36.16 79.74 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.259 -0.276 . . . . 25.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.34 71.88 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.08 -18.33 64.64 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.46 132.74 1.6 Allowed Glycine 0 C--O 1.219 -0.785 0 C-N-CA 120.407 -0.902 . . . . 25.0 111.945 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.85 -13.73 57.21 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 115.453 0.941 . . . . 25.0 115.453 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.72 -22.65 78.9 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -84.05 126.95 33.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.8 p -92.39 -15.37 27.33 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.491 -0.322 . . . . 25.0 110.515 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.38 -154.47 14.74 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.017 -0.611 . . . . 25.0 112.387 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.9 165.17 36.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.049 -0.596 . . . . 25.0 111.655 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -135.02 172.8 12.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.551 -1.277 . . . . 25.0 107.551 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -112.98 147.66 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.74 -170.71 3.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 103.559 -2.756 . . . . 25.0 103.559 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.5 174.04 39.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 119.158 -1.496 . . . . 25.0 115.004 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -68.37 -176.48 1.12 Allowed 'Trans proline' 0 CA--C 1.514 -0.486 0 C-N-CA 122.888 2.392 . . . . 25.0 113.073 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.46 0.48 1.51 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.009 -1.45 . . . . 25.0 113.459 172.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -138.44 158.53 44.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.2 mt 64.15 -168.11 0.21 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.413 1.085 . . . . 25.0 110.485 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.57 -103.42 1.96 Allowed Glycine 0 C--O 1.218 -0.864 0 C-N-CA 121.493 -0.385 . . . . 25.0 112.576 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -123.69 61.56 22.81 Favored Pre-proline 0 CA--C 1.545 0.762 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -75.52 -18.02 17.97 Favored 'Trans proline' 0 C--N 1.353 0.799 0 N-CA-C 115.607 1.349 . . . . 25.0 115.607 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.2 m -86.06 122.68 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.93 0.395 . . . . 25.0 111.892 -173.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.05 128.62 33.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 171.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 m -120.22 125.32 47.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 104.143 -2.54 . . . . 25.0 104.143 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.3 m -97.53 150.35 21.19 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.985 -0.686 . . . . 25.0 112.828 -166.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -116.31 143.6 45.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.649 -1.159 . . . . 25.0 107.993 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.247 0.96 0 N-CA-C 103.834 -2.654 . . . . 25.0 103.834 177.857 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 118.597 -1.113 . . . . 25.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 56.57 41.85 28.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.701 0.762 . . . . 25.0 111.645 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.42 -24.23 20.78 Favored Glycine 0 CA--C 1.511 -0.215 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.088 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 148.06 33.91 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 112.652 0.612 . . . . 25.0 112.652 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.28 134.04 32.17 Favored 'Cis proline' 0 C--N 1.35 0.655 0 N-CA-C 114.021 0.739 . . . . 25.0 114.021 -0.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.49 -67.21 0.54 Allowed Glycine 0 C--O 1.225 -0.424 0 N-CA-C 110.577 -1.009 . . . . 25.0 110.577 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.88 90.72 5.33 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.146 0.974 . . . . 25.0 112.114 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.06 61.68 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.318 -0.855 . . . . 25.0 111.479 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -68.33 -45.61 72.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -63.72 -35.65 81.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.037 0.446 . . . . 25.0 110.924 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.1 t -63.4 -41.4 98.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.177 0.513 . . . . 25.0 109.94 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -64.32 -44.52 91.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.837 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.77 -40.62 95.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.236 -0.29 . . . . 25.0 111.103 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -61.55 -46.52 89.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.599 0.238 . . . . 25.0 110.399 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.79 -43.67 98.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.04 -0.413 . . . . 25.0 111.182 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.36 -35.86 78.6 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.098 -0.376 . . . . 25.0 111.277 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.02 71.69 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.073 0.397 . . . . 25.0 112.073 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.8 -17.73 64.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.718 0.294 . . . . 25.0 111.589 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.85 127.28 0.93 Allowed Glycine 0 C--O 1.218 -0.892 0 N-CA-C 110.874 -0.89 . . . . 25.0 110.874 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.42 -11.31 52.38 Favored Glycine 0 C--O 1.22 -0.779 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.15 -22.97 78.54 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 110.371 -1.092 . . . . 25.0 110.371 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -79.52 128.26 33.15 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.8 p -81.77 -22.21 37.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.386 0.612 . . . . 25.0 109.927 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.9 -147.76 10.34 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.321 -0.854 . . . . 25.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.75 165.71 39.05 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.282 -0.727 . . . . 25.0 111.282 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -133.28 166.87 21.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -113.33 140.13 48.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.537 0.208 . . . . 25.0 111.262 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.91 -171.13 3.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.423 -2.066 . . . . 25.0 105.423 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.52 -175.29 41.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.608 -1.282 . . . . 25.0 112.727 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -67.82 -179.02 1.85 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 122.917 2.412 . . . . 25.0 113.134 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -65.45 -3.11 3.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.535 -1.211 . . . . 25.0 112.938 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -132.17 156.19 46.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 mt 66.3 -172.94 0.19 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.548 1.139 . . . . 25.0 109.386 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.31 -105.01 1.86 Allowed Glycine 0 C--O 1.219 -0.818 0 C-N-CA 121.174 -0.536 . . . . 25.0 112.432 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -123.16 62.51 20.52 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -71.04 -20.53 28.73 Favored 'Trans proline' 0 C--N 1.351 0.702 0 N-CA-C 115.308 1.234 . . . . 25.0 115.308 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -92.94 115.94 28.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.128 0.49 . . . . 25.0 112.034 -172.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.04 132.05 35.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.3 m -126.96 132.91 50.72 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 104.58 -2.378 . . . . 25.0 104.58 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.85 152.08 19.04 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.107 -0.637 . . . . 25.0 112.43 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -117.43 154.65 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 25.0 108.459 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.254 1.342 0 N-CA-C 103.661 -2.718 . . . . 25.0 103.661 177.233 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.011 0 CA-C-O 118.787 -1.007 . . . . 25.0 111.419 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 55.19 43.19 29.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.585 0.707 . . . . 25.0 111.94 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.72 -20.04 25.92 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.409 -0.814 . . . . 25.0 113.878 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.43 145.61 30.9 Favored Pre-proline 0 C--O 1.242 0.687 0 O-C-N 122.262 -0.552 . . . . 25.0 111.618 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 96.2 Cg_endo -74.53 137.7 51.7 Favored 'Cis proline' 0 C--N 1.353 0.79 0 N-CA-C 114.067 0.757 . . . . 25.0 114.067 -0.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.25 -64.61 0.61 Allowed Glycine 0 C--O 1.227 -0.339 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.5 90.66 5.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.144 0.973 . . . . 25.0 111.068 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -18.95 60.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.319 -0.855 . . . . 25.0 111.508 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -72.36 -45.2 60.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.291 0.567 . . . . 25.0 110.267 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.75 -41.72 97.97 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.341 0.591 . . . . 25.0 110.005 175.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -64.42 -43.76 93.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.973 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.65 -42.02 96.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.872 0.305 . . . . 25.0 110.858 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -58.52 -47.96 82.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.809 0.337 . . . . 25.0 110.282 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 m -64.37 -44.53 91.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.974 0.361 . . . . 25.0 111.974 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -61.9 -33.81 74.9 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.008 -0.433 . . . . 25.0 111.36 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.56 72.83 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.704 0.261 . . . . 25.0 111.704 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.65 -15.87 62.24 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.785 0.291 . . . . 25.0 111.785 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.43 131.97 1.4 Allowed Glycine 0 C--O 1.219 -0.823 0 C-N-CA 120.58 -0.819 . . . . 25.0 112.586 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.63 -12.41 61.67 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 115.146 0.818 . . . . 25.0 115.146 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.3 -21.93 78.55 Favored Glycine 0 C--O 1.22 -0.764 0 N-CA-C 110.498 -1.041 . . . . 25.0 110.498 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -81.42 126.05 31.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -79.28 -25.24 42.49 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.409 0.623 . . . . 25.0 109.918 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.99 -145.99 9.32 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.681 -0.968 . . . . 25.0 110.681 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.48 166.18 36.47 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.603 -0.599 . . . . 25.0 111.603 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -127.45 168.6 14.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.595 -1.631 . . . . 25.0 106.595 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -119.02 140.7 49.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.722 0.296 . . . . 25.0 110.307 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.18 -171.87 3.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.294 -2.484 . . . . 25.0 104.294 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.08 -177.19 41.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 118.971 -1.585 . . . . 25.0 114.724 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.66 -177.99 1.41 Allowed 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 123.5 2.8 . . . . 25.0 113.175 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.17 0.62 1.9 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.17 -1.377 . . . . 25.0 113.272 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -139.9 161.58 37.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.6 mt 62.99 -164.37 0.25 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.234 1.014 . . . . 25.0 109.308 -173.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.62 -104.56 2.33 Favored Glycine 0 C--O 1.222 -0.655 0 C-N-CA 121.236 -0.506 . . . . 25.0 112.699 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 20.2 m80 -125.45 63.51 44.42 Favored Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.828 1.047 . . . . 25.0 113.828 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.21 -17.83 27.41 Favored 'Trans proline' 0 C--N 1.353 0.779 0 N-CA-C 115.972 1.489 . . . . 25.0 115.972 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -91.37 119.11 31.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.832 0.349 . . . . 25.0 111.653 -173.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -81.01 136.0 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -130.54 133.36 46.17 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 104.156 -2.535 . . . . 25.0 104.156 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.09 148.53 22.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.732 0.641 . . . . 25.0 112.732 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -110.48 155.13 22.67 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.829 -1.078 . . . . 25.0 108.714 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.255 1.392 0 N-CA-C 103.213 -2.884 . . . . 25.0 103.213 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.98 0 CA-C-O 118.496 -1.169 . . . . 25.0 111.169 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 54.87 50.0 16.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 117.69 0.745 . . . . 25.0 111.548 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.95 -24.01 14.92 Favored Glycine 0 C--O 1.226 -0.369 0 CA-C-N 115.607 -0.724 . . . . 25.0 112.946 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 146.91 33.63 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.13 139.09 56.34 Favored 'Cis proline' 0 C--N 1.354 0.849 0 N-CA-C 112.978 0.338 . . . . 25.0 112.978 -1.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.43 -66.73 0.52 Allowed Glycine 0 C--O 1.223 -0.534 0 N-CA-C 110.799 -0.92 . . . . 25.0 110.799 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -117.79 128.45 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.329 0.585 . . . . 25.0 112.441 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.04 -13.88 32.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.181 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -66.5 -50.29 63.74 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.662 -0.649 . . . . 25.0 111.034 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.61 -29.36 69.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.24 0.543 . . . . 25.0 110.586 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.83 -41.56 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -64.62 -44.35 90.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.042 -0.527 . . . . 25.0 110.704 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.22 -43.26 92.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.194 -0.316 . . . . 25.0 110.985 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -61.49 -47.12 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.619 0.247 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 m -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.883 -0.327 . . . . 25.0 111.662 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -61.65 -37.41 83.91 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.261 -0.275 . . . . 25.0 111.03 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -30.94 71.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.63 -17.48 63.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.91 132.79 1.57 Allowed Glycine 0 C--O 1.216 -0.975 0 C-N-CA 120.595 -0.812 . . . . 25.0 112.091 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.52 -14.71 58.12 Favored Glycine 0 C--O 1.221 -0.702 0 N-CA-C 116.478 1.351 . . . . 25.0 116.478 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.4 -22.94 78.68 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 110.67 -0.972 . . . . 25.0 110.67 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -82.07 128.12 33.8 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.8 p -90.13 -17.98 26.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 25.0 109.981 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -150.07 12.6 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 111.25 -0.74 . . . . 25.0 111.25 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.35 167.65 40.65 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.553 -0.619 . . . . 25.0 111.553 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -130.78 163.08 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.556 -1.276 . . . . 25.0 107.556 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 m -101.96 142.29 33.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.737 0.273 . . . . 25.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 -175.37 4.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.118 -2.179 . . . . 25.0 105.118 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.88 179.52 42.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 119.181 -1.485 . . . . 25.0 114.322 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.39 -176.34 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 124.069 3.179 . . . . 25.0 113.785 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -64.0 -2.95 2.2 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.018 -1.447 . . . . 25.0 113.08 172.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -138.14 160.62 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 63.34 -163.98 0.26 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.032 . . . . 25.0 109.409 -174.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.69 -106.69 2.5 Favored Glycine 0 C--O 1.218 -0.872 0 C-N-CA 121.247 -0.501 . . . . 25.0 112.228 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -124.37 64.23 37.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -72.46 -17.97 26.43 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.412 1.274 . . . . 25.0 115.412 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.7 m -90.89 124.74 35.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.041 0.448 . . . . 25.0 111.376 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.5 m -87.57 124.12 33.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.7 m -114.61 130.37 56.78 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.482 -2.414 . . . . 25.0 104.482 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 59.9 m -96.28 151.09 19.84 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -167.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t -114.7 148.35 38.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.679 -1.146 . . . . 25.0 109.351 -175.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 C--O 1.243 0.738 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 177.836 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 CA-C-O 118.959 -0.912 . . . . 25.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 55.07 41.07 32.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.556 0.693 . . . . 25.0 112.351 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.51 -22.2 21.74 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.386 -0.825 . . . . 25.0 113.866 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.75 148.05 34.49 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -175.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.87 138.87 58.28 Favored 'Cis proline' 0 C--N 1.356 0.947 0 CA-C-N 118.076 0.349 . . . . 25.0 112.306 -2.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.83 -67.57 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 109.736 -1.346 . . . . 25.0 109.736 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -107.94 112.86 25.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.707 0.765 . . . . 25.0 112.53 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.28 -17.21 50.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.191 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.56 -50.71 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.04 -0.412 . . . . 25.0 111.405 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.35 -32.4 73.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.028 -0.36 . . . . 25.0 110.028 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.36 -42.27 98.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.374 0.607 . . . . 25.0 110.052 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -65.79 -45.13 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.854 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.36 -39.59 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.145 -0.347 . . . . 25.0 111.21 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.85 -46.65 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.468 . . . . 25.0 109.738 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.9 -44.38 89.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.11 0.411 . . . . 25.0 112.11 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -61.82 -33.21 73.73 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.112 -0.368 . . . . 25.0 111.261 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.21 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.53 -16.89 62.34 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.812 0.339 . . . . 25.0 111.251 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.5 129.63 1.18 Allowed Glycine 0 C--O 1.218 -0.849 0 C-N-CA 120.849 -0.691 . . . . 25.0 111.479 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -14.3 57.38 Favored Glycine 0 C--O 1.222 -0.633 0 N-CA-C 115.794 1.077 . . . . 25.0 115.794 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.62 -23.03 78.62 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 110.896 -0.882 . . . . 25.0 110.896 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -77.69 127.91 33.22 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.75 -18.08 30.22 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.14 0.495 . . . . 25.0 110.102 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.14 -149.17 10.97 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.234 -0.746 . . . . 25.0 111.234 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.07 166.76 38.9 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.829 -0.908 . . . . 25.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.02 164.22 23.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -107.29 132.54 52.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.673 0.273 . . . . 25.0 110.772 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.22 -177.11 4.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -174.47 41.3 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.016 -1.564 . . . . 25.0 113.919 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -68.24 179.03 3.15 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.441 2.094 . . . . 25.0 113.308 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -67.96 1.21 2.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.62 -1.173 . . . . 25.0 113.25 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -139.2 163.74 31.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 mt 62.06 -153.92 0.35 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.976 0.91 . . . . 25.0 108.632 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.29 -114.83 4.0 Favored Glycine 0 C--O 1.219 -0.789 0 N-CA-C 111.669 -0.572 . . . . 25.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -125.27 66.44 52.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.35 -14.6 28.2 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 116.258 1.599 . . . . 25.0 116.258 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.5 m -94.31 118.34 31.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.946 0.403 . . . . 25.0 111.527 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.17 131.94 35.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 173.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.4 m -125.92 131.66 52.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 103.653 -2.721 . . . . 25.0 103.653 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.07 151.43 19.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 -166.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -117.2 154.91 30.31 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.714 -1.13 . . . . 25.0 109.299 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.255 1.379 0 N-CA-C 101.957 -3.349 . . . . 25.0 101.957 175.098 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 CA-C-O 118.455 -1.192 . . . . 25.0 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 55.37 45.6 25.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 117.883 0.842 . . . . 25.0 111.712 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.31 -21.29 21.87 Favored Glycine 0 C--O 1.225 -0.407 0 CA-C-N 115.454 -0.793 . . . . 25.0 113.661 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.94 145.73 31.28 Favored Pre-proline 0 C--O 1.242 0.702 0 N-CA-C 114.631 1.345 . . . . 25.0 114.631 -175.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.05 142.9 75.35 Favored 'Cis proline' 0 C--N 1.353 0.787 0 CA-C-N 117.92 0.293 . . . . 25.0 112.703 -2.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.63 -66.95 0.52 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 110.126 -1.189 . . . . 25.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -117.14 129.51 56.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.339 0.59 . . . . 25.0 111.89 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.03 -17.52 26.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.916 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -66.57 -48.64 68.96 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 121.791 -0.568 . . . . 25.0 111.271 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.62 -29.1 70.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.035 0.445 . . . . 25.0 110.572 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.77 -41.17 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.503 0.668 . . . . 25.0 109.382 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -65.39 -43.2 91.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 25.0 110.977 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.81 -43.45 94.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 25.0 110.553 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.9 -47.09 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.384 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.41 -44.14 95.47 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 122.01 -0.431 . . . . 25.0 112.092 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -62.38 -35.96 80.78 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.01 -0.431 . . . . 25.0 111.003 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.755 0.28 . . . . 25.0 111.755 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.18 -16.61 62.54 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.15 134.32 1.93 Allowed Glycine 0 C--O 1.217 -0.944 0 C-N-CA 120.073 -1.06 . . . . 25.0 112.945 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.11 -15.26 62.72 Favored Glycine 0 C--O 1.216 -0.997 0 N-CA-C 115.389 0.916 . . . . 25.0 115.389 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.86 -22.54 76.76 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 110.792 -0.923 . . . . 25.0 110.792 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -80.81 125.97 30.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 p -90.56 -17.62 26.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.979 -0.555 . . . . 25.0 110.347 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.45 -154.99 17.88 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.429 -0.668 . . . . 25.0 111.429 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 163.58 37.24 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.13 -0.788 . . . . 25.0 111.13 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -134.52 165.47 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.8 m -101.93 145.7 28.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.53 -176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 104.992 -2.225 . . . . 25.0 104.992 176.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.77 -176.82 43.4 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 119.39 -1.386 . . . . 25.0 114.148 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.88 -179.21 2.38 Favored 'Trans proline' 0 C--O 1.216 -0.585 0 C-N-CA 122.804 2.336 . . . . 25.0 113.488 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -66.77 -2.95 5.65 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.492 -1.231 . . . . 25.0 113.054 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -136.93 162.96 31.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.4 mt 64.62 -159.9 0.29 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.29 1.036 . . . . 25.0 108.375 -172.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.03 -112.56 3.53 Favored Glycine 0 C--O 1.222 -0.636 0 N-CA-C 111.688 -0.565 . . . . 25.0 111.688 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -124.65 65.44 43.92 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.47 -15.73 27.66 Favored 'Trans proline' 0 C--N 1.353 0.783 0 N-CA-C 115.988 1.495 . . . . 25.0 115.988 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -92.62 120.11 32.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.33 133.12 35.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.1 m -125.42 131.8 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.16 -2.534 . . . . 25.0 104.16 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -97.02 152.1 19.07 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.507 0.928 . . . . 25.0 113.507 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -114.56 152.01 32.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.634 -1.167 . . . . 25.0 107.968 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.255 1.363 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 178.769 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 CA-C-O 118.53 -1.15 . . . . 25.0 111.353 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 55.02 45.13 26.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 117.778 0.789 . . . . 25.0 112.051 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.77 -15.11 49.26 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 115.81 -0.632 . . . . 25.0 114.346 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 146.44 34.06 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.44 140.5 62.99 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.975 0.312 . . . . 25.0 112.604 -1.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.0 -68.36 0.44 Allowed Glycine 0 C--O 1.223 -0.546 0 N-CA-C 110.838 -0.905 . . . . 25.0 110.838 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -120.65 126.05 49.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.392 0.615 . . . . 25.0 112.654 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.56 -18.37 33.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.822 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.66 -48.13 67.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.753 -0.592 . . . . 25.0 111.202 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.59 -32.22 73.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.846 -0.533 . . . . 25.0 110.465 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.67 -41.24 98.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 t -64.33 -43.41 94.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.031 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.18 -42.78 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 118.104 0.411 . . . . 25.0 110.602 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.8 -46.68 88.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.318 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.6 m -64.24 -43.17 95.75 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.338 0.496 . . . . 25.0 112.338 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -62.49 -34.23 76.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 25.0 110.953 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.08 72.04 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.28 -17.07 63.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.848 0.356 . . . . 25.0 111.66 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.16 129.81 1.13 Allowed Glycine 0 C--O 1.217 -0.923 0 C-N-CA 120.754 -0.736 . . . . 25.0 111.266 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 -12.53 58.49 Favored Glycine 0 C--O 1.22 -0.737 0 N-CA-C 115.471 0.949 . . . . 25.0 115.471 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.78 -23.65 76.73 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 110.011 -1.235 . . . . 25.0 110.011 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -82.27 126.68 32.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p -86.83 -17.78 32.57 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.14 0.495 . . . . 25.0 109.827 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.75 -150.57 10.92 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.747 -0.661 . . . . 25.0 112.2 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.27 165.42 38.71 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -135.46 163.57 29.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.2 m -102.85 143.49 32.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.68 -174.29 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.949 -2.241 . . . . 25.0 104.949 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.1 178.4 44.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 118.776 -1.678 . . . . 25.0 114.568 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -68.52 -178.27 1.81 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.703 2.936 . . . . 25.0 113.171 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -66.29 0.32 2.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.461 -1.245 . . . . 25.0 113.439 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -134.22 154.46 51.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 64.78 -167.95 0.21 Allowed 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.444 1.09 . . . . 25.0 109.448 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.71 -101.74 1.89 Allowed Glycine 0 C--O 1.221 -0.695 0 C-N-CA 121.115 -0.564 . . . . 25.0 111.861 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -123.74 64.16 30.77 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.07 -18.48 30.89 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.541 1.324 . . . . 25.0 115.541 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.3 m -92.48 125.47 37.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.926 0.393 . . . . 25.0 111.516 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.03 128.75 35.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 171.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 m -119.47 130.98 55.51 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.567 -2.383 . . . . 25.0 104.567 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.22 151.1 19.82 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.028 -0.669 . . . . 25.0 112.033 -169.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 t -118.52 149.3 41.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.801 -1.09 . . . . 25.0 108.241 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 C--O 1.25 1.11 0 N-CA-C 103.19 -2.892 . . . . 25.0 103.19 176.814 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 CA-C-O 118.238 -1.312 . . . . 25.0 111.159 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 54.13 50.61 16.16 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 117.859 0.83 . . . . 25.0 111.864 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.72 -17.14 27.51 Favored Glycine 0 C--O 1.226 -0.403 0 CA-C-N 115.488 -0.778 . . . . 25.0 114.021 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 144.01 28.32 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.22 1.193 . . . . 25.0 114.22 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 83.6 Cg_endo -72.35 144.74 81.43 Favored 'Cis proline' 0 C--N 1.354 0.86 0 CA-C-N 118.059 0.342 . . . . 25.0 112.637 -1.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.14 -66.82 0.52 Allowed Glycine 0 C--O 1.226 -0.399 0 N-CA-C 110.664 -0.975 . . . . 25.0 110.664 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.22 123.21 37.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.47 0.652 . . . . 25.0 111.906 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.2 -12.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.034 -0.53 . . . . 25.0 112.334 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -64.8 -47.79 76.77 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.828 -0.545 . . . . 25.0 110.71 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.47 -29.71 69.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.41 -0.516 . . . . 25.0 111.194 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.12 -39.46 89.94 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.679 -0.638 . . . . 25.0 109.497 175.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -64.34 -43.49 94.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.826 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.28 -42.04 94.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.831 0.348 . . . . 25.0 110.557 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -60.7 -46.37 90.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.693 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 m -64.68 -42.03 95.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.173 0.435 . . . . 25.0 112.173 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -62.98 -34.44 77.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.991 -0.443 . . . . 25.0 111.389 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.51 70.07 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.774 0.321 . . . . 25.0 111.616 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -75.18 -11.82 60.16 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 122.156 -0.34 . . . . 25.0 111.903 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.0 131.56 1.34 Allowed Glycine 0 C--O 1.214 -1.117 0 C-N-CA 120.485 -0.864 . . . . 25.0 111.944 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.53 -15.78 64.42 Favored Glycine 0 C--O 1.222 -0.625 0 C-N-CA 121.026 -0.607 . . . . 25.0 114.549 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.56 -26.49 74.02 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.247 -1.141 . . . . 25.0 110.247 175.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -79.01 124.93 28.74 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 106.502 -1.666 . . . . 25.0 106.502 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.5 p -90.87 -16.67 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.67 -152.24 11.68 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.708 -0.678 . . . . 25.0 112.297 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.41 166.47 39.72 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.408 -0.677 . . . . 25.0 111.408 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -132.05 168.85 17.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -111.21 142.87 42.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.78 0.324 . . . . 25.0 111.253 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.06 -177.09 5.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.26 39.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 119.165 -1.493 . . . . 25.0 114.317 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -69.68 -178.84 2.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.961 3.107 . . . . 25.0 114.779 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -65.02 -3.07 3.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.263 -1.335 . . . . 25.0 113.599 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -147.06 165.4 30.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt 64.06 -159.02 0.3 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.09 0.956 . . . . 25.0 108.736 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.78 -122.49 4.97 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.247 0.359 . . . . 25.0 112.902 -176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 60.1 m80 -122.79 64.03 21.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -74.54 -16.25 21.56 Favored 'Trans proline' 0 C--N 1.352 0.736 0 N-CA-C 115.831 1.435 . . . . 25.0 115.831 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.9 m -85.4 119.28 25.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.004 0.43 . . . . 25.0 111.156 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.1 m -81.63 134.43 35.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 173.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.8 m -127.6 132.98 49.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 104.201 -2.518 . . . . 25.0 104.201 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -97.61 152.24 19.26 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 119.763 -0.775 . . . . 25.0 113.024 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -119.12 154.5 33.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.96 -1.018 . . . . 25.0 108.57 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 102.154 -3.276 . . . . 25.0 102.154 176.185 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 CA-C-O 118.388 -1.229 . . . . 25.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 54.57 48.03 21.33 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.87 0.835 . . . . 25.0 111.707 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.02 -23.0 22.91 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.679 -0.691 . . . . 25.0 113.11 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.37 143.33 26.38 Favored Pre-proline 0 C--O 1.242 0.699 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -177.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.446 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 84.1 Cg_endo -74.74 144.49 81.14 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.966 0.309 . . . . 25.0 112.592 -1.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -64.42 0.58 Allowed Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.89 -0.884 . . . . 25.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -118.85 126.39 51.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.43 0.633 . . . . 25.0 112.402 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.38 -16.78 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.767 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.0 -48.73 64.95 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.839 -0.538 . . . . 25.0 111.432 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.83 -30.5 71.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.806 -0.559 . . . . 25.0 110.537 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.6 -40.9 96.32 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.627 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.68 -42.85 93.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 118.125 0.421 . . . . 25.0 110.926 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.55 -47.0 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 25.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -64.02 -43.33 95.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -62.88 -34.52 77.57 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.016 -0.428 . . . . 25.0 110.842 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.22 72.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.733 0.272 . . . . 25.0 111.733 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.94 -17.13 62.69 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.23 132.14 1.48 Allowed Glycine 0 C--O 1.217 -0.924 0 C-N-CA 120.67 -0.776 . . . . 25.0 112.148 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.37 -14.75 60.26 Favored Glycine 0 C--O 1.222 -0.613 0 N-CA-C 115.866 1.106 . . . . 25.0 115.866 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.69 -23.22 78.28 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 110.558 -1.017 . . . . 25.0 110.558 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -81.19 125.23 30.02 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.52 -17.79 31.28 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 25.0 109.863 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.5 -150.44 12.06 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.714 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.65 166.85 38.18 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.865 -0.894 . . . . 25.0 110.865 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -131.97 165.18 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -111.71 139.98 46.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.706 0.289 . . . . 25.0 110.836 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.46 -175.54 4.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.9 -176.15 43.89 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.019 -1.562 . . . . 25.0 114.428 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.28 -177.97 1.61 Allowed 'Trans proline' 0 C--O 1.218 -0.491 0 C-N-CA 123.911 3.074 . . . . 25.0 113.743 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -65.0 -3.04 3.09 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.291 -1.322 . . . . 25.0 113.638 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -136.12 161.23 36.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 mt 62.37 -160.79 0.3 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -171.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.75 -103.32 2.6 Favored Glycine 0 C--O 1.221 -0.694 0 N-CA-C 111.389 -0.684 . . . . 25.0 111.389 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 33.7 m80 -128.22 67.35 74.88 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -71.22 -18.25 30.56 Favored 'Trans proline' 0 C--N 1.349 0.595 0 N-CA-C 115.98 1.492 . . . . 25.0 115.98 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -92.31 115.5 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.432 . . . . 25.0 111.406 -173.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.96 132.3 35.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 174.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.8 m -129.14 134.6 48.12 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.48 -2.415 . . . . 25.0 104.48 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.86 151.01 20.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -168.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -117.08 156.6 27.3 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.75 -1.114 . . . . 25.0 108.605 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 102.446 -3.168 . . . . 25.0 102.446 176.464 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.201 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 55.1 45.55 25.91 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 117.744 0.772 . . . . 25.0 111.853 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.56 -19.8 30.65 Favored Glycine 0 C--O 1.226 -0.401 0 CA-C-N 115.63 -0.714 . . . . 25.0 113.728 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 148.38 36.65 Favored Pre-proline 0 C--O 1.244 0.773 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.13 138.44 52.59 Favored 'Cis proline' 0 C--N 1.352 0.739 0 N-CA-C 112.999 0.346 . . . . 25.0 112.999 -0.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.69 -66.64 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -115.23 127.65 55.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.82 -14.55 31.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.702 -0.681 . . . . 25.0 112.222 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -67.64 -50.52 57.54 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.79 -0.569 . . . . 25.0 111.078 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -66.48 -29.36 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 25.0 110.279 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -64.19 -40.86 96.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 25.0 109.445 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 t -65.99 -44.8 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.659 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -58.91 -43.24 91.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.938 0.336 . . . . 25.0 110.986 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.66 -48.21 82.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.311 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 m -63.81 -43.07 97.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.961 0.356 . . . . 25.0 111.961 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -61.91 -36.2 80.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.138 -0.352 . . . . 25.0 110.912 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.43 72.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.85 -18.52 63.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.038 0.385 . . . . 25.0 112.038 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.91 133.26 1.69 Allowed Glycine 0 C--O 1.217 -0.912 0 C-N-CA 120.537 -0.84 . . . . 25.0 112.346 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -14.07 59.59 Favored Glycine 0 C--O 1.221 -0.677 0 N-CA-C 115.742 1.057 . . . . 25.0 115.742 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.34 -21.75 79.35 Favored Glycine 0 C--O 1.222 -0.646 0 N-CA-C 110.811 -0.916 . . . . 25.0 110.811 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -82.4 126.63 32.42 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -83.47 -21.64 32.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.477 0.656 . . . . 25.0 110.541 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.88 -149.14 12.61 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.641 -0.984 . . . . 25.0 110.641 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.38 165.64 38.76 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -130.93 161.37 32.04 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 m -100.68 140.42 34.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.775 0.321 . . . . 25.0 111.676 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.62 -176.68 5.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 104.794 -2.299 . . . . 25.0 104.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.48 179.09 45.11 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.509 -1.329 . . . . 25.0 113.186 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -68.97 -179.41 2.54 Favored 'Trans proline' 0 C--O 1.219 -0.452 0 C-N-CA 123.131 2.554 . . . . 25.0 113.615 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.91 -3.14 6.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.494 -1.23 . . . . 25.0 112.768 172.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -131.72 154.75 48.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt 65.83 -164.69 0.23 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.434 1.093 . . . . 25.0 108.662 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -99.28 -110.14 3.06 Favored Glycine 0 C--O 1.221 -0.674 0 C-N-CA 121.261 -0.495 . . . . 25.0 112.236 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -123.12 63.26 21.99 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -73.99 -17.94 21.88 Favored 'Trans proline' 0 C--N 1.354 0.817 0 N-CA-C 115.353 1.251 . . . . 25.0 115.353 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -88.7 115.84 26.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.124 0.488 . . . . 25.0 111.543 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.98 128.83 34.14 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 172.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.1 m -121.35 132.38 54.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.65 149.19 22.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.297 0.851 . . . . 25.0 113.297 -167.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -111.73 154.71 24.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.471 -1.24 . . . . 25.0 108.01 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.254 1.341 0 N-CA-C 103.642 -2.725 . . . . 25.0 103.642 177.621 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.086 0 CA-C-O 118.569 -1.128 . . . . 25.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 55.9 46.23 22.48 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.576 0.703 . . . . 25.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.31 -23.12 16.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.384 -0.826 . . . . 25.0 112.828 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.58 152.12 40.62 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.84 124.01 7.82 Favored 'Cis proline' 0 C--N 1.35 0.64 0 N-CA-C 114.573 0.951 . . . . 25.0 114.573 0.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.76 -68.83 0.45 Allowed Glycine 0 C--O 1.229 -0.204 0 CA-C-N 115.985 -0.552 . . . . 25.0 112.231 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -89.99 93.93 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.056 0.931 . . . . 25.0 113.006 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -21.41 62.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.379 -0.828 . . . . 25.0 112.25 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -72.83 -43.62 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.751 -0.593 . . . . 25.0 110.031 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.5 -32.65 74.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 25.0 109.951 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.42 -42.0 98.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.218 0.532 . . . . 25.0 109.99 174.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -62.37 -44.76 95.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.783 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.024 0.375 . . . . 25.0 111.088 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -60.51 -47.4 86.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.324 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 m -63.19 -42.8 99.4 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -62.3 -36.36 81.88 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.343 -0.223 . . . . 25.0 110.967 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.51 71.19 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.69 -18.43 62.82 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.49 133.95 1.73 Allowed Glycine 0 C--O 1.217 -0.946 0 C-N-CA 120.169 -1.015 . . . . 25.0 112.439 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.97 -15.37 60.27 Favored Glycine 0 C--O 1.221 -0.715 0 N-CA-C 116.001 1.16 . . . . 25.0 116.001 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.64 77.63 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 110.767 -0.933 . . . . 25.0 110.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -82.86 125.14 31.0 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.4 p -87.12 -19.69 28.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.18 0.514 . . . . 25.0 110.439 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.15 -150.63 11.84 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.869 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.35 165.79 38.43 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.711 -0.956 . . . . 25.0 110.711 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -138.49 167.17 22.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.694 -1.224 . . . . 25.0 107.694 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -110.48 144.0 39.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.95 -171.85 3.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 104.424 -2.435 . . . . 25.0 104.424 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.55 -179.61 44.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 119.202 -1.475 . . . . 25.0 113.502 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -68.48 -179.26 2.24 Favored 'Trans proline' 0 C--O 1.219 -0.441 0 C-N-CA 123.54 2.827 . . . . 25.0 113.672 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -67.58 -2.95 7.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.443 -1.253 . . . . 25.0 113.002 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -129.26 158.07 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt 63.54 -151.63 0.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 -171.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -121.33 -101.39 1.74 Allowed Glycine 0 C--O 1.219 -0.798 0 C-N-CA 121.309 -0.472 . . . . 25.0 112.293 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -121.22 58.06 7.22 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.12 -20.09 16.98 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 116.65 -1.767 . . . . 25.0 115.271 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.6 m -85.16 118.89 24.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.224 0.535 . . . . 25.0 111.839 -173.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.97 132.05 35.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 m -125.05 131.11 53.4 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 104.806 -2.294 . . . . 25.0 104.806 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.9 m -96.24 148.64 22.52 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.279 -0.568 . . . . 25.0 111.89 -170.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -115.49 154.75 28.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.744 -1.116 . . . . 25.0 108.072 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 102.245 -3.243 . . . . 25.0 102.245 177.176 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.153 0 CA-C-O 118.194 -1.337 . . . . 25.0 111.305 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 54.43 48.32 20.86 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.153 0.976 . . . . 25.0 112.39 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.74 -20.14 29.54 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.882 -0.599 . . . . 25.0 113.071 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -102.45 142.84 25.4 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.622 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 83.9 Cg_endo -72.52 144.48 80.74 Favored 'Cis proline' 0 C--N 1.352 0.739 0 CA-C-N 118.043 0.337 . . . . 25.0 112.082 -1.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.97 -66.31 0.54 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.28 -1.128 . . . . 25.0 110.28 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -125.0 123.95 40.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.95 -18.07 38.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.815 -0.629 . . . . 25.0 112.039 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.1 -45.69 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.058 -0.401 . . . . 25.0 110.63 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.09 -33.59 76.11 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.783 -0.573 . . . . 25.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.99 -39.29 90.2 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.621 0.724 . . . . 25.0 109.617 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.3 t -63.98 -43.72 94.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.76 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.88 -42.4 99.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.952 0.342 . . . . 25.0 110.33 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.67 -47.57 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.649 0.262 . . . . 25.0 110.918 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.338 0.495 . . . . 25.0 112.338 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -62.13 -35.82 79.92 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.885 -0.509 . . . . 25.0 110.774 177.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.77 69.81 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.72 -16.38 63.32 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.38 131.75 1.41 Allowed Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.523 -0.846 . . . . 25.0 111.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.82 -13.32 56.37 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 115.951 1.14 . . . . 25.0 115.951 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.44 -22.83 78.24 Favored Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.402 -1.079 . . . . 25.0 110.402 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -84.96 126.66 33.7 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.574 -0.898 . . . . 25.0 108.574 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -94.49 -13.39 26.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.84 0.353 . . . . 25.0 110.896 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.8 -154.8 14.89 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.447 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.84 165.23 37.92 Favored Glycine 0 C--O 1.236 0.269 0 C-N-CA 121.177 -0.535 . . . . 25.0 111.783 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.45 172.0 12.37 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -123.65 142.27 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 121.129 -0.228 . . . . 25.0 110.444 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -175.6 4.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.151 -2.166 . . . . 25.0 105.151 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.42 40.82 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.537 -1.316 . . . . 25.0 113.493 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -67.51 -176.01 0.81 Allowed 'Trans proline' 0 C--O 1.216 -0.606 0 C-N-CA 124.368 3.378 . . . . 25.0 114.604 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.1 -3.6 2.82 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.283 -1.326 . . . . 25.0 113.354 172.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -141.21 164.27 30.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.1 mt 64.46 -162.23 0.27 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.277 1.031 . . . . 25.0 108.456 -173.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.09 -112.44 3.12 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.917 0.731 . . . . 25.0 112.431 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.622 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 45.9 m80 -123.93 64.95 35.2 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -72.26 -17.78 27.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 N-CA-C 115.973 1.489 . . . . 25.0 115.973 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -90.47 115.57 27.73 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.657 0.383 . . . . 25.0 111.28 -174.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.67 141.5 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.1 m -138.06 138.33 38.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.866 -2.272 . . . . 25.0 104.866 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.4 m -96.31 155.7 16.65 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.385 -0.822 . . . . 25.0 113.0 -170.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -120.51 155.03 34.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.657 -1.156 . . . . 25.0 107.982 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--O 1.255 1.373 0 N-CA-C 102.931 -2.989 . . . . 25.0 102.931 177.754 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 118.524 -1.153 . . . . 25.0 111.213 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 55.29 49.17 17.67 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.801 0.801 . . . . 25.0 112.262 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.44 -29.55 8.84 Favored Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.634 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.1 147.43 33.02 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 122.493 -0.416 . . . . 25.0 111.782 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.51 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 97.1 Cg_endo -73.38 133.38 30.4 Favored 'Cis proline' 0 C--N 1.349 0.584 0 CA-C-N 118.125 0.366 . . . . 25.0 112.676 -2.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.55 -67.48 0.48 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -116.8 123.14 46.4 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.88 -13.33 42.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.168 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -67.46 -48.7 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.733 -0.604 . . . . 25.0 110.836 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.42 -31.42 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.066 0.46 . . . . 25.0 110.508 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.26 -42.59 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -62.7 -44.69 95.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 25.0 110.654 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.81 -41.67 96.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.627 0.251 . . . . 25.0 111.147 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.57 -45.69 91.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 25.0 110.62 177.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.3 m -62.81 -42.58 99.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.051 -0.405 . . . . 25.0 111.712 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.61 -35.96 79.36 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.17 -0.331 . . . . 25.0 110.677 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.08 73.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.971 0.359 . . . . 25.0 111.971 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.31 -16.68 63.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.33 128.76 1.11 Allowed Glycine 0 C--O 1.217 -0.958 0 N-CA-C 111.143 -0.783 . . . . 25.0 111.143 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.3 -14.16 56.12 Favored Glycine 0 C--O 1.221 -0.689 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.78 -24.14 76.62 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.824 -0.911 . . . . 25.0 110.824 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -78.19 126.27 30.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -88.66 -16.72 31.65 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.04 -149.94 10.72 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.892 -0.67 . . . . 25.0 113.186 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 165.35 38.82 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 109.906 -1.278 . . . . 25.0 109.906 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -137.62 172.38 13.04 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 -178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -120.22 145.73 46.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.986 0.422 . . . . 25.0 112.089 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.48 -161.06 1.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 103.564 -2.754 . . . . 25.0 103.564 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.99 -167.9 30.03 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 119.699 -1.238 . . . . 25.0 116.12 172.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.73 167.33 13.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.62 2.213 . . . . 25.0 112.743 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -69.22 0.54 4.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 116.354 1.983 . . . . 25.0 116.354 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -107.3 149.32 27.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 mt 61.18 -155.2 0.36 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.55 -73.17 0.91 Allowed Glycine 0 C--O 1.219 -0.843 0 C-N-CA 120.858 -0.687 . . . . 25.0 113.129 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.51 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 41.6 m80 -136.52 68.84 60.69 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.77 -26.52 52.65 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 N-CA-C 117.26 1.984 . . . . 25.0 117.26 -176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.4 m -95.05 123.87 38.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.11 133.82 35.54 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.1 m -129.19 133.31 47.51 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.97 151.26 19.59 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.243 -0.583 . . . . 25.0 112.067 -171.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 t -121.89 155.33 35.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.128 -0.942 . . . . 25.0 109.002 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.252 1.23 0 N-CA-C 102.417 -3.179 . . . . 25.0 102.417 175.738 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.98 0 CA-C-O 118.531 -1.149 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 54.31 45.31 27.5 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.72 0.76 . . . . 25.0 111.866 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.24 -15.14 46.5 Favored Glycine 0 C--O 1.225 -0.462 0 CA-C-N 115.559 -0.746 . . . . 25.0 114.435 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 145.4 31.52 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.62 141.6 68.8 Favored 'Cis proline' 0 C--N 1.355 0.904 0 CA-C-N 117.949 0.303 . . . . 25.0 112.35 -1.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.92 -67.01 0.48 Allowed Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.961 -0.856 . . . . 25.0 110.961 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -122.67 121.58 36.74 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.49 40.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.665 -0.698 . . . . 25.0 111.858 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -67.91 -45.77 73.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.976 -0.452 . . . . 25.0 111.052 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.62 -34.39 77.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.193 0.521 . . . . 25.0 110.501 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.73 -41.72 98.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.628 0.728 . . . . 25.0 109.751 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 t -64.43 -44.75 90.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 25.0 111.16 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.73 -41.67 95.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.213 0.46 . . . . 25.0 110.97 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.8 m -63.98 -43.0 97.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.072 -0.392 . . . . 25.0 110.845 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.66 70.85 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.15 -18.34 63.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.789 0.328 . . . . 25.0 111.358 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.97 129.24 1.13 Allowed Glycine 0 C--O 1.219 -0.826 0 N-CA-C 111.023 -0.831 . . . . 25.0 111.023 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -13.96 54.41 Favored Glycine 0 C--O 1.223 -0.562 0 N-CA-C 116.239 1.256 . . . . 25.0 116.239 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.17 75.85 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 110.475 -1.05 . . . . 25.0 110.475 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -78.32 127.1 31.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -89.75 -15.75 31.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.692 -0.484 . . . . 25.0 109.692 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.42 -150.51 11.56 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.583 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.74 166.61 39.8 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.003 -1.239 . . . . 25.0 110.003 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -132.33 162.73 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 m -103.75 136.28 43.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.757 0.313 . . . . 25.0 111.251 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -173.06 3.83 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.324 -2.102 . . . . 25.0 105.324 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.91 -179.92 41.86 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 119.27 -1.443 . . . . 25.0 114.23 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -68.13 -176.06 0.96 Allowed 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 123.318 2.679 . . . . 25.0 113.253 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -65.37 0.6 1.4 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.018 -1.446 . . . . 25.0 113.495 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -142.78 163.36 33.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.6 mt 64.15 -163.63 0.26 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.319 1.048 . . . . 25.0 109.767 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.47 -110.12 2.61 Favored Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.421 -0.419 . . . . 25.0 112.37 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -124.13 63.55 32.61 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 112.778 0.659 . . . . 25.0 112.778 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -74.25 -17.33 21.69 Favored 'Trans proline' 0 C--N 1.352 0.752 0 N-CA-C 115.859 1.446 . . . . 25.0 115.859 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.0 m -91.29 116.33 28.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.109 0.481 . . . . 25.0 112.032 -173.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -81.44 131.66 35.29 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 172.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.4 m -125.82 132.73 52.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 104.608 -2.367 . . . . 25.0 104.608 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -169.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -123.12 155.48 36.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.953 -1.021 . . . . 25.0 109.239 -177.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 . . . . . 0 C--O 1.253 1.26 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 176.133 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 118.402 -1.221 . . . . 25.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 52.21 50.55 18.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 117.919 0.86 . . . . 25.0 112.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.75 -21.12 24.39 Favored Glycine 0 C--O 1.225 -0.419 0 CA-C-N 115.425 -0.807 . . . . 25.0 113.699 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.58 144.28 28.33 Favored Pre-proline 0 C--O 1.242 0.689 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.54 143.22 77.15 Favored 'Cis proline' 0 C--N 1.354 0.853 0 O-C-N 121.615 0.271 . . . . 25.0 112.569 -0.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.66 -64.1 0.57 Allowed Glycine 0 C--O 1.226 -0.354 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.07 127.63 53.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.288 0.566 . . . . 25.0 112.276 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.86 -15.9 29.15 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.939 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -66.03 -51.23 60.11 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.937 -0.477 . . . . 25.0 110.62 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.3 -31.12 72.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.403 0.62 . . . . 25.0 110.796 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.32 -41.18 90.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.402 0.62 . . . . 25.0 109.791 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -64.82 -43.92 91.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.231 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -58.98 -43.3 91.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.776 0.262 . . . . 25.0 110.605 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -60.38 -47.92 84.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.564 -0.289 . . . . 25.0 110.872 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.877 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -63.06 -35.3 79.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.237 -0.29 . . . . 25.0 111.129 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.07 -31.56 72.51 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.96 -18.63 63.36 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.115 0.413 . . . . 25.0 112.115 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.02 134.68 1.93 Allowed Glycine 0 C--O 1.218 -0.881 0 C-N-CA 120.289 -0.958 . . . . 25.0 112.164 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.87 -16.2 61.28 Favored Glycine 0 C--O 1.22 -0.753 0 N-CA-C 115.828 1.091 . . . . 25.0 115.828 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.77 -23.11 77.36 Favored Glycine 0 C--O 1.223 -0.564 0 N-CA-C 111.12 -0.792 . . . . 25.0 111.12 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.38 125.19 29.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -87.68 -20.22 26.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.513 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.27 11.01 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.593 -1.003 . . . . 25.0 110.593 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.62 168.73 40.78 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.498 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -127.7 168.16 15.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 m -112.56 138.99 48.52 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.12 -173.55 3.86 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 104.687 -2.338 . . . . 25.0 104.687 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.64 -175.61 38.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.141 -1.504 . . . . 25.0 114.973 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.56 -177.52 1.21 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.652 2.901 . . . . 25.0 113.683 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -66.46 0.5 2.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.154 -1.384 . . . . 25.0 113.204 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -145.4 165.68 27.79 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.4 mt 64.47 -166.44 0.23 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.347 1.059 . . . . 25.0 109.294 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.19 -110.59 2.6 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 121.45 -0.405 . . . . 25.0 112.256 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -124.78 64.93 43.57 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 114.328 1.233 . . . . 25.0 114.328 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -72.76 -17.62 25.71 Favored 'Trans proline' 0 C--N 1.352 0.737 0 N-CA-C 116.037 1.514 . . . . 25.0 116.037 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.5 m -89.94 119.65 30.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 25.0 111.411 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -80.93 128.56 33.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -122.28 129.5 52.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.78 148.59 22.75 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -167.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -112.6 155.72 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.607 -1.179 . . . . 25.0 108.466 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--O 1.255 1.369 0 N-CA-C 102.083 -3.303 . . . . 25.0 102.083 175.758 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 56.27 41.93 28.57 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.713 0.768 . . . . 25.0 111.593 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.98 -23.0 22.8 Favored Glycine 0 C--O 1.229 -0.191 0 CA-C-N 115.095 -0.957 . . . . 25.0 113.224 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.34 150.49 37.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 122.182 -0.599 . . . . 25.0 111.701 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.93 129.64 17.13 Favored 'Cis proline' 0 C--N 1.35 0.626 0 N-CA-C 114.427 0.895 . . . . 25.0 114.427 0.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.05 -67.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 110.833 -0.907 . . . . 25.0 110.833 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -90.31 88.1 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.099 0.952 . . . . 25.0 111.968 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.81 -24.06 63.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.311 -0.859 . . . . 25.0 111.453 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -70.97 -44.62 65.61 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.128 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -63.79 -36.18 83.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 25.0 110.073 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -62.33 -41.33 98.48 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.154 0.502 . . . . 25.0 109.94 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -64.66 -46.14 83.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.266 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -62.07 -40.14 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 118.312 0.505 . . . . 25.0 111.016 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.58 -47.61 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 176.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 m -63.47 -43.73 96.48 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.938 -0.305 . . . . 25.0 111.66 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -60.43 -35.29 75.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.061 -0.399 . . . . 25.0 111.17 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.34 70.97 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.7 -16.13 62.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.788 0.327 . . . . 25.0 111.73 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.12 124.65 0.79 Allowed Glycine 0 C--O 1.22 -0.776 0 N-CA-C 110.594 -1.002 . . . . 25.0 110.594 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.48 50.79 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 116.373 1.309 . . . . 25.0 116.373 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.28 -23.34 78.1 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 110.867 -0.893 . . . . 25.0 110.867 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -75.72 128.45 35.22 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -85.34 -18.96 32.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.287 -0.635 . . . . 25.0 109.287 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.11 9.43 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.754 -0.657 . . . . 25.0 112.917 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.18 166.72 39.69 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.722 -1.351 . . . . 25.0 109.722 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.81 164.1 27.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.425 -1.324 . . . . 25.0 107.425 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.5 m -110.26 134.35 52.34 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.035 -0.358 . . . . 25.0 110.035 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.12 -170.02 3.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.215 -2.143 . . . . 25.0 105.215 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -177.34 43.59 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 119.139 -1.505 . . . . 25.0 114.77 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.81 -176.18 0.92 Allowed 'Trans proline' 0 C--O 1.219 -0.443 0 C-N-CA 124.162 3.241 . . . . 25.0 113.454 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -63.5 -2.86 1.76 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.039 -1.437 . . . . 25.0 113.808 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -134.96 156.53 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.4 mt 64.68 -170.74 0.19 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.521 1.128 . . . . 25.0 109.509 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.24 -94.75 1.71 Allowed Glycine 0 C--O 1.221 -0.663 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.617 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -127.69 63.39 60.0 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 113.939 1.089 . . . . 25.0 113.939 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -71.76 -20.15 26.65 Favored 'Trans proline' 0 C--N 1.352 0.754 0 N-CA-C 115.892 1.458 . . . . 25.0 115.892 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.7 m -96.43 118.44 32.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 25.0 112.142 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 m -81.07 131.65 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 m -127.42 134.09 49.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 104.419 -2.438 . . . . 25.0 104.419 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -96.56 153.25 17.95 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.121 -0.632 . . . . 25.0 112.338 -169.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -126.01 153.93 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.283 -0.871 . . . . 25.0 109.584 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 C--O 1.25 1.097 0 N-CA-C 103.371 -2.826 . . . . 25.0 103.371 179.004 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.968 0 CA-C-O 118.527 -1.152 . . . . 25.0 111.311 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 54.78 44.99 27.59 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 117.639 0.719 . . . . 25.0 111.741 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.61 32.76 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.766 -0.652 . . . . 25.0 114.096 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.28 146.09 32.06 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 76.2 Cg_endo -72.28 143.17 76.4 Favored 'Cis proline' 0 C--N 1.354 0.83 0 CA-C-N 118.002 0.322 . . . . 25.0 112.51 -1.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.94 -65.18 0.56 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 110.665 -0.974 . . . . 25.0 110.665 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -118.39 123.22 44.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.93 0.715 . . . . 25.0 112.93 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 -16.76 35.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.727 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -66.63 -50.06 64.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.1 -0.375 . . . . 25.0 110.74 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -64.0 -33.04 74.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 25.0 110.358 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.57 -42.34 98.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.204 0.525 . . . . 25.0 109.59 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.4 -45.45 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.731 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.55 -41.19 94.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.015 0.371 . . . . 25.0 110.945 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.63 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.01 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.1 -43.32 95.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -62.72 -35.01 78.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.725 0.298 . . . . 25.0 110.772 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.6 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.39 -18.65 63.78 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.22 132.85 1.61 Allowed Glycine 0 C--O 1.216 -0.991 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.57 -15.64 57.63 Favored Glycine 0 C--O 1.22 -0.756 0 N-CA-C 116.084 1.194 . . . . 25.0 116.084 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.86 75.42 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 110.862 -0.895 . . . . 25.0 110.862 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -79.76 127.9 32.78 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -97.21 -13.32 22.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.897 0.38 . . . . 25.0 110.934 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.89 -155.13 18.89 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.41 165.17 38.62 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.86 -0.896 . . . . 25.0 110.86 178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -132.98 162.62 31.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.948 -1.13 . . . . 25.0 107.948 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.1 m -106.87 139.37 41.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 25.0 111.802 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.58 -173.37 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.759 -2.312 . . . . 25.0 104.759 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.77 43.49 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 119.011 -1.566 . . . . 25.0 115.411 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -68.56 -177.25 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.793 2.995 . . . . 25.0 113.341 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -64.49 -3.01 2.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.166 -1.379 . . . . 25.0 113.718 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -135.79 158.25 44.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 mt 63.63 -165.23 0.24 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.266 1.026 . . . . 25.0 108.938 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.37 -100.29 1.92 Allowed Glycine 0 C--O 1.218 -0.863 0 CA-C-O 121.592 0.551 . . . . 25.0 112.341 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.409 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 29.9 m80 -127.19 64.86 62.95 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.94 -17.79 28.41 Favored 'Trans proline' 0 C--N 1.352 0.748 0 N-CA-C 115.82 1.431 . . . . 25.0 115.82 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.9 m -93.45 117.52 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.852 0.358 . . . . 25.0 111.721 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.09 133.55 35.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 171.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 132.88 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 103.839 -2.652 . . . . 25.0 103.839 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.41 151.37 19.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 -168.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -117.22 154.7 30.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.455 -1.248 . . . . 25.0 108.62 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.251 1.177 0 N-CA-C 102.522 -3.14 . . . . 25.0 102.522 176.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.164 0 CA-C-O 118.591 -1.116 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 55.23 41.8 31.06 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.647 0.737 . . . . 25.0 111.963 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.47 -12.71 54.82 Favored Glycine 0 C--O 1.224 -0.494 0 CA-C-N 115.548 -0.751 . . . . 25.0 114.593 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.74 144.52 29.75 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 117.838 0.819 . . . . 25.0 113.134 -177.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -72.21 143.12 76.18 Favored 'Cis proline' 0 C--N 1.354 0.817 0 CA-C-N 118.04 0.336 . . . . 25.0 111.851 -1.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.71 -68.03 0.45 Allowed Glycine 0 C--O 1.224 -0.511 0 N-CA-C 110.898 -0.881 . . . . 25.0 110.898 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -121.64 120.54 35.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -21.84 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.815 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -67.96 -47.74 67.78 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.75 -0.593 . . . . 25.0 111.397 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.55 -35.22 78.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 25.0 110.315 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.26 -41.22 97.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.148 0.499 . . . . 25.0 109.84 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.08 -44.63 91.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 25.0 110.839 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.61 -43.73 93.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.08 0.4 . . . . 25.0 110.665 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.209 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 m -63.86 -43.24 96.69 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.6 mtp85 -63.08 -34.61 77.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.072 -0.393 . . . . 25.0 110.804 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.12 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.879 0.325 . . . . 25.0 111.879 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.71 -17.51 62.82 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.26 130.11 1.21 Allowed Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.651 -0.785 . . . . 25.0 111.684 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.46 -13.01 57.73 Favored Glycine 0 C--O 1.22 -0.75 0 N-CA-C 116.306 1.282 . . . . 25.0 116.306 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.82 -23.57 77.83 Favored Glycine 0 C--O 1.224 -0.525 0 N-CA-C 110.411 -1.076 . . . . 25.0 110.411 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -80.55 127.9 32.97 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -89.23 -18.14 27.66 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.06 0.457 . . . . 25.0 109.867 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.0 -149.25 9.79 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.258 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.08 168.3 39.73 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.487 -0.645 . . . . 25.0 111.487 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -131.52 169.12 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -114.52 136.58 52.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.829 0.347 . . . . 25.0 110.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.61 -171.94 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.96 41.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.035 -1.555 . . . . 25.0 114.863 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -67.78 -178.37 1.59 Allowed 'Trans proline' 0 CA--C 1.514 -0.487 0 C-N-CA 123.368 2.712 . . . . 25.0 112.736 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -66.39 0.59 2.06 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.347 -1.297 . . . . 25.0 113.184 173.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -139.29 162.85 33.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt 63.88 -167.31 0.22 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.325 1.05 . . . . 25.0 109.389 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.4 -104.5 2.15 Favored Glycine 0 C--O 1.221 -0.719 0 C-N-CA 121.384 -0.436 . . . . 25.0 112.363 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -125.27 63.7 43.68 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -73.39 -17.61 23.82 Favored 'Trans proline' 0 C--N 1.354 0.85 0 N-CA-C 116.086 1.533 . . . . 25.0 116.086 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -91.5 119.08 31.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.841 0.353 . . . . 25.0 111.363 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -81.1 129.81 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.579 -1.637 . . . . 25.0 106.579 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -124.76 129.91 51.38 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 103.709 -2.7 . . . . 25.0 103.709 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.7 m -96.4 153.51 17.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -166.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 t -121.26 153.72 37.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.979 -1.009 . . . . 25.0 108.908 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--O 1.252 1.194 0 N-CA-C 103.603 -2.74 . . . . 25.0 103.603 179.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.097 0 CA-C-O 118.544 -1.142 . . . . 25.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 54.67 41.63 31.8 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.669 0.747 . . . . 25.0 111.687 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.8 -19.23 38.66 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-N 115.117 -0.947 . . . . 25.0 114.281 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.77 147.75 34.32 Favored Pre-proline 0 C--O 1.242 0.685 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -177.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.31 136.28 42.63 Favored 'Cis proline' 0 C--N 1.353 0.786 0 N-CA-C 113.996 0.729 . . . . 25.0 113.996 0.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.52 -67.93 0.52 Allowed Glycine 0 C--O 1.225 -0.427 0 N-CA-C 110.549 -1.02 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -98.55 91.49 5.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.964 0.887 . . . . 25.0 111.561 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.6 -23.99 61.82 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.637 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.18 -43.62 67.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.004 -0.435 . . . . 25.0 109.955 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -62.53 -36.25 82.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.162 0.506 . . . . 25.0 110.245 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.67 -41.19 98.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.277 0.561 . . . . 25.0 110.032 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -65.49 -44.2 87.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.476 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.62 -41.01 96.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.031 0.378 . . . . 25.0 110.783 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -59.08 -47.44 85.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 m -64.17 -44.52 91.84 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -61.79 -34.44 75.89 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.072 -0.392 . . . . 25.0 111.301 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.38 71.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.43 -17.5 62.38 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.205 -0.309 . . . . 25.0 111.786 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.89 131.84 1.36 Allowed Glycine 0 C--O 1.219 -0.811 0 C-N-CA 120.636 -0.792 . . . . 25.0 112.302 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.06 -11.57 58.81 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 116.002 1.161 . . . . 25.0 116.002 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.37 77.67 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.0 -1.24 . . . . 25.0 110.0 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -81.7 126.65 32.04 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -77.01 -25.39 52.57 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.691 0.758 . . . . 25.0 110.082 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.26 -147.39 11.04 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.026 -1.23 . . . . 25.0 110.026 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.71 162.99 34.41 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -131.0 158.87 39.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.7 m -102.69 132.49 48.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.404 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.82 -175.34 4.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 104.7 -2.333 . . . . 25.0 104.7 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.3 -177.2 42.36 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.271 -1.443 . . . . 25.0 112.853 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -67.61 -179.49 2.02 Favored 'Trans proline' 0 C--O 1.219 -0.459 0 C-N-CA 122.665 2.244 . . . . 25.0 113.022 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -66.58 -2.91 5.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.377 -1.283 . . . . 25.0 112.784 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -134.81 162.02 33.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.034 -1.469 . . . . 25.0 107.034 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 mt 63.83 -162.47 0.28 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.154 0.982 . . . . 25.0 108.674 -172.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.32 -110.63 3.34 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.829 -0.509 . . . . 25.0 111.829 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -123.63 63.29 26.93 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 113.671 0.989 . . . . 25.0 113.671 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -73.01 -18.27 24.25 Favored 'Trans proline' 0 C--N 1.353 0.773 0 N-CA-C 115.523 1.316 . . . . 25.0 115.523 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -89.19 114.84 26.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.241 0.544 . . . . 25.0 111.29 -173.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.05 125.08 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.532 -1.655 . . . . 25.0 106.532 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -119.13 131.03 55.86 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 104.453 -2.425 . . . . 25.0 104.453 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -96.27 143.96 26.88 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.134 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -106.11 155.84 19.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.059 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.256 1.416 0 N-CA-C 103.641 -2.726 . . . . 25.0 103.641 176.739 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 CA-C-O 118.339 -1.256 . . . . 25.0 111.327 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 54.32 46.06 25.93 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 117.984 0.892 . . . . 25.0 112.057 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.66 -14.46 51.64 Favored Glycine 0 C--O 1.224 -0.51 0 CA-C-N 115.709 -0.678 . . . . 25.0 114.504 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -108.39 143.68 27.95 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 89.7 Cg_endo -72.08 145.88 84.46 Favored 'Cis proline' 0 C--N 1.352 0.735 0 CA-C-N 117.971 0.311 . . . . 25.0 111.903 -2.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.88 -67.11 0.51 Allowed Glycine 0 CA--C 1.51 -0.279 0 N-CA-C 109.829 -1.308 . . . . 25.0 109.829 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.66 119.88 30.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.573 0.701 . . . . 25.0 112.193 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.78 -20.42 46.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.844 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.77 -45.59 74.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.681 -0.637 . . . . 25.0 111.325 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -61.98 -34.99 77.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 25.0 110.612 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.92 -41.36 97.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.389 0.614 . . . . 25.0 109.839 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.59 -43.9 92.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.204 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.84 -42.46 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.038 -0.414 . . . . 25.0 110.908 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -58.95 -47.73 84.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.55 -44.28 94.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.36 -35.46 77.52 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.098 -0.376 . . . . 25.0 111.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -30.95 71.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -17.73 64.01 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.027 0.38 . . . . 25.0 112.027 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.74 131.41 1.37 Allowed Glycine 0 C--O 1.22 -0.766 0 C-N-CA 120.215 -0.993 . . . . 25.0 112.246 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.34 -14.64 54.77 Favored Glycine 0 C--O 1.22 -0.754 0 N-CA-C 116.085 1.194 . . . . 25.0 116.085 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.98 -24.0 77.18 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 110.569 -1.012 . . . . 25.0 110.569 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -81.47 127.21 32.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.5 p -93.8 -14.25 26.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 -153.4 13.0 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.843 -0.694 . . . . 25.0 112.685 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.6 165.66 39.02 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.571 -1.412 . . . . 25.0 109.571 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -134.46 164.54 27.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.737 -1.209 . . . . 25.0 107.737 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.1 m -109.07 139.01 44.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.996 -0.372 . . . . 25.0 109.996 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.67 -171.69 3.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.97 -178.15 45.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.014 -1.565 . . . . 25.0 114.942 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.65 -175.59 0.95 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.891 3.061 . . . . 25.0 113.77 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -63.2 -2.84 1.51 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.133 -1.394 . . . . 25.0 114.285 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -138.08 160.56 39.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt 64.45 -164.66 0.25 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.669 1.188 . . . . 25.0 108.725 -173.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.06 -99.49 1.85 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.992 -0.623 . . . . 25.0 111.999 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 56.6 m80 -128.75 65.11 71.77 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 122.297 -0.531 . . . . 25.0 112.227 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.81 -19.23 27.59 Favored 'Trans proline' 0 C--N 1.354 0.851 0 N-CA-C 116.376 1.644 . . . . 25.0 116.376 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.3 m -92.81 117.64 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.508 -173.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.05 134.39 35.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.4 m -129.66 133.75 47.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 104.483 -2.414 . . . . 25.0 104.483 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.43 152.37 18.68 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.081 -0.648 . . . . 25.0 112.111 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t -121.15 154.26 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.878 -1.055 . . . . 25.0 108.765 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.256 1.421 0 N-CA-C 102.618 -3.105 . . . . 25.0 102.618 177.734 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 118.5 -1.167 . . . . 25.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 54.93 45.98 25.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.803 0.811 . . . . 25.0 111.479 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.25 -24.12 17.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.0 -1.0 . . . . 25.0 113.058 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.98 146.1 30.91 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -177.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.4 132.3 25.25 Favored 'Cis proline' 0 C--N 1.351 0.705 0 N-CA-C 113.723 0.624 . . . . 25.0 113.723 0.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.15 -68.15 0.49 Allowed Glycine 0 C--O 1.226 -0.376 0 N-CA-C 111.571 -0.612 . . . . 25.0 111.571 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.65 98.44 9.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.779 0.8 . . . . 25.0 112.071 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.11 -23.78 61.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.017 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -71.34 -44.31 65.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.922 -0.486 . . . . 25.0 110.239 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -34.22 77.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 25.0 110.046 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.58 -40.44 95.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.116 0.484 . . . . 25.0 110.27 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -63.46 -42.36 98.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.548 -0.296 . . . . 25.0 110.729 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.32 -42.81 99.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.19 -0.319 . . . . 25.0 110.679 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.0 -45.14 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.723 0.297 . . . . 25.0 110.565 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 m -62.37 -44.46 96.42 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.003 -0.436 . . . . 25.0 111.483 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -61.51 -36.16 79.74 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.259 -0.276 . . . . 25.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.34 71.88 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.08 -18.33 64.64 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.46 132.74 1.6 Allowed Glycine 0 C--O 1.219 -0.785 0 C-N-CA 120.407 -0.902 . . . . 25.0 111.945 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.85 -13.73 57.21 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 115.453 0.941 . . . . 25.0 115.453 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.72 -22.65 78.9 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -84.05 126.95 33.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.8 p -92.39 -15.37 27.33 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.491 -0.322 . . . . 25.0 110.515 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.38 -154.47 14.74 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.017 -0.611 . . . . 25.0 112.387 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.9 165.17 36.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.049 -0.596 . . . . 25.0 111.655 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -135.02 172.8 12.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.551 -1.277 . . . . 25.0 107.551 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -112.98 147.66 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.74 -170.71 3.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 103.559 -2.756 . . . . 25.0 103.559 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.5 174.04 39.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 119.158 -1.496 . . . . 25.0 115.004 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -68.37 -176.48 1.12 Allowed 'Trans proline' 0 CA--C 1.514 -0.486 0 C-N-CA 122.888 2.392 . . . . 25.0 113.073 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.46 0.48 1.51 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.009 -1.45 . . . . 25.0 113.459 172.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -138.44 158.53 44.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.2 mt 64.15 -168.11 0.21 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.413 1.085 . . . . 25.0 110.485 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.57 -103.42 1.96 Allowed Glycine 0 C--O 1.218 -0.864 0 C-N-CA 121.493 -0.385 . . . . 25.0 112.576 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -123.69 61.56 22.81 Favored Pre-proline 0 CA--C 1.545 0.762 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -75.52 -18.02 17.97 Favored 'Trans proline' 0 C--N 1.353 0.799 0 N-CA-C 115.607 1.349 . . . . 25.0 115.607 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.2 m -86.06 122.68 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.93 0.395 . . . . 25.0 111.892 -173.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.05 128.62 33.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 171.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 m -120.22 125.32 47.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 104.143 -2.54 . . . . 25.0 104.143 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.3 m -97.53 150.35 21.19 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.985 -0.686 . . . . 25.0 112.828 -166.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -116.31 143.6 45.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.649 -1.159 . . . . 25.0 107.993 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.247 0.96 0 N-CA-C 103.834 -2.654 . . . . 25.0 103.834 177.857 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 118.597 -1.113 . . . . 25.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 56.57 41.85 28.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.701 0.762 . . . . 25.0 111.645 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.42 -24.23 20.78 Favored Glycine 0 CA--C 1.511 -0.215 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.088 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 148.06 33.91 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 112.652 0.612 . . . . 25.0 112.652 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.28 134.04 32.17 Favored 'Cis proline' 0 C--N 1.35 0.655 0 N-CA-C 114.021 0.739 . . . . 25.0 114.021 -0.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.49 -67.21 0.54 Allowed Glycine 0 C--O 1.225 -0.424 0 N-CA-C 110.577 -1.009 . . . . 25.0 110.577 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.88 90.72 5.33 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.146 0.974 . . . . 25.0 112.114 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.06 61.68 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.318 -0.855 . . . . 25.0 111.479 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -68.33 -45.61 72.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -63.72 -35.65 81.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.037 0.446 . . . . 25.0 110.924 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.1 t -63.4 -41.4 98.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.177 0.513 . . . . 25.0 109.94 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -64.32 -44.52 91.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.837 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.77 -40.62 95.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.236 -0.29 . . . . 25.0 111.103 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -61.55 -46.52 89.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.599 0.238 . . . . 25.0 110.399 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.79 -43.67 98.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.04 -0.413 . . . . 25.0 111.182 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.36 -35.86 78.6 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.098 -0.376 . . . . 25.0 111.277 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.02 71.69 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.073 0.397 . . . . 25.0 112.073 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.8 -17.73 64.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.718 0.294 . . . . 25.0 111.589 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.85 127.28 0.93 Allowed Glycine 0 C--O 1.218 -0.892 0 N-CA-C 110.874 -0.89 . . . . 25.0 110.874 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.42 -11.31 52.38 Favored Glycine 0 C--O 1.22 -0.779 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.15 -22.97 78.54 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 110.371 -1.092 . . . . 25.0 110.371 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -79.52 128.26 33.15 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.8 p -81.77 -22.21 37.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.386 0.612 . . . . 25.0 109.927 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.9 -147.76 10.34 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.321 -0.854 . . . . 25.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.75 165.71 39.05 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.282 -0.727 . . . . 25.0 111.282 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -133.28 166.87 21.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -113.33 140.13 48.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.537 0.208 . . . . 25.0 111.262 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.91 -171.13 3.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.423 -2.066 . . . . 25.0 105.423 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.52 -175.29 41.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.608 -1.282 . . . . 25.0 112.727 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -67.82 -179.02 1.85 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 122.917 2.412 . . . . 25.0 113.134 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -65.45 -3.11 3.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.535 -1.211 . . . . 25.0 112.938 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -132.17 156.19 46.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 mt 66.3 -172.94 0.19 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.548 1.139 . . . . 25.0 109.386 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.31 -105.01 1.86 Allowed Glycine 0 C--O 1.219 -0.818 0 C-N-CA 121.174 -0.536 . . . . 25.0 112.432 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -123.16 62.51 20.52 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -71.04 -20.53 28.73 Favored 'Trans proline' 0 C--N 1.351 0.702 0 N-CA-C 115.308 1.234 . . . . 25.0 115.308 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -92.94 115.94 28.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.128 0.49 . . . . 25.0 112.034 -172.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.04 132.05 35.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.3 m -126.96 132.91 50.72 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 104.58 -2.378 . . . . 25.0 104.58 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.85 152.08 19.04 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.107 -0.637 . . . . 25.0 112.43 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -117.43 154.65 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 25.0 108.459 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.254 1.342 0 N-CA-C 103.661 -2.718 . . . . 25.0 103.661 177.233 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.011 0 CA-C-O 118.787 -1.007 . . . . 25.0 111.419 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 55.19 43.19 29.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.585 0.707 . . . . 25.0 111.94 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.72 -20.04 25.92 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.409 -0.814 . . . . 25.0 113.878 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.43 145.61 30.9 Favored Pre-proline 0 C--O 1.242 0.687 0 O-C-N 122.262 -0.552 . . . . 25.0 111.618 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 96.2 Cg_endo -74.53 137.7 51.7 Favored 'Cis proline' 0 C--N 1.353 0.79 0 N-CA-C 114.067 0.757 . . . . 25.0 114.067 -0.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.25 -64.61 0.61 Allowed Glycine 0 C--O 1.227 -0.339 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.5 90.66 5.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.144 0.973 . . . . 25.0 111.068 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -18.95 60.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.319 -0.855 . . . . 25.0 111.508 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -72.36 -45.2 60.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.291 0.567 . . . . 25.0 110.267 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.75 -41.72 97.97 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.341 0.591 . . . . 25.0 110.005 175.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -64.42 -43.76 93.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.973 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.65 -42.02 96.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.872 0.305 . . . . 25.0 110.858 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -58.52 -47.96 82.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.809 0.337 . . . . 25.0 110.282 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 m -64.37 -44.53 91.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.974 0.361 . . . . 25.0 111.974 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -61.9 -33.81 74.9 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.008 -0.433 . . . . 25.0 111.36 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.56 72.83 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.704 0.261 . . . . 25.0 111.704 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.65 -15.87 62.24 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.785 0.291 . . . . 25.0 111.785 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.43 131.97 1.4 Allowed Glycine 0 C--O 1.219 -0.823 0 C-N-CA 120.58 -0.819 . . . . 25.0 112.586 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.63 -12.41 61.67 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 115.146 0.818 . . . . 25.0 115.146 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.3 -21.93 78.55 Favored Glycine 0 C--O 1.22 -0.764 0 N-CA-C 110.498 -1.041 . . . . 25.0 110.498 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -81.42 126.05 31.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -79.28 -25.24 42.49 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.409 0.623 . . . . 25.0 109.918 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.99 -145.99 9.32 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.681 -0.968 . . . . 25.0 110.681 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.48 166.18 36.47 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.603 -0.599 . . . . 25.0 111.603 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -127.45 168.6 14.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.595 -1.631 . . . . 25.0 106.595 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -119.02 140.7 49.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.722 0.296 . . . . 25.0 110.307 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.18 -171.87 3.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.294 -2.484 . . . . 25.0 104.294 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.08 -177.19 41.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 118.971 -1.585 . . . . 25.0 114.724 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.66 -177.99 1.41 Allowed 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 123.5 2.8 . . . . 25.0 113.175 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.17 0.62 1.9 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.17 -1.377 . . . . 25.0 113.272 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -139.9 161.58 37.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.6 mt 62.99 -164.37 0.25 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.234 1.014 . . . . 25.0 109.308 -173.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.62 -104.56 2.33 Favored Glycine 0 C--O 1.222 -0.655 0 C-N-CA 121.236 -0.506 . . . . 25.0 112.699 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 20.2 m80 -125.45 63.51 44.42 Favored Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.828 1.047 . . . . 25.0 113.828 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.21 -17.83 27.41 Favored 'Trans proline' 0 C--N 1.353 0.779 0 N-CA-C 115.972 1.489 . . . . 25.0 115.972 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -91.37 119.11 31.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.832 0.349 . . . . 25.0 111.653 -173.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -81.01 136.0 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -130.54 133.36 46.17 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 104.156 -2.535 . . . . 25.0 104.156 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.09 148.53 22.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.732 0.641 . . . . 25.0 112.732 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -110.48 155.13 22.67 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.829 -1.078 . . . . 25.0 108.714 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.255 1.392 0 N-CA-C 103.213 -2.884 . . . . 25.0 103.213 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.98 0 CA-C-O 118.496 -1.169 . . . . 25.0 111.169 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 54.87 50.0 16.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 117.69 0.745 . . . . 25.0 111.548 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.95 -24.01 14.92 Favored Glycine 0 C--O 1.226 -0.369 0 CA-C-N 115.607 -0.724 . . . . 25.0 112.946 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 146.91 33.63 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.13 139.09 56.34 Favored 'Cis proline' 0 C--N 1.354 0.849 0 N-CA-C 112.978 0.338 . . . . 25.0 112.978 -1.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.43 -66.73 0.52 Allowed Glycine 0 C--O 1.223 -0.534 0 N-CA-C 110.799 -0.92 . . . . 25.0 110.799 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -117.79 128.45 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.329 0.585 . . . . 25.0 112.441 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.04 -13.88 32.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.181 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -66.5 -50.29 63.74 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.662 -0.649 . . . . 25.0 111.034 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.61 -29.36 69.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.24 0.543 . . . . 25.0 110.586 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.83 -41.56 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -64.62 -44.35 90.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.042 -0.527 . . . . 25.0 110.704 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.22 -43.26 92.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.194 -0.316 . . . . 25.0 110.985 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -61.49 -47.12 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.619 0.247 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 m -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.883 -0.327 . . . . 25.0 111.662 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -61.65 -37.41 83.91 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.261 -0.275 . . . . 25.0 111.03 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -30.94 71.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.63 -17.48 63.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.91 132.79 1.57 Allowed Glycine 0 C--O 1.216 -0.975 0 C-N-CA 120.595 -0.812 . . . . 25.0 112.091 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.52 -14.71 58.12 Favored Glycine 0 C--O 1.221 -0.702 0 N-CA-C 116.478 1.351 . . . . 25.0 116.478 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.4 -22.94 78.68 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 110.67 -0.972 . . . . 25.0 110.67 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -82.07 128.12 33.8 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.8 p -90.13 -17.98 26.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 25.0 109.981 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -150.07 12.6 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 111.25 -0.74 . . . . 25.0 111.25 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.35 167.65 40.65 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.553 -0.619 . . . . 25.0 111.553 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -130.78 163.08 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.556 -1.276 . . . . 25.0 107.556 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 m -101.96 142.29 33.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.737 0.273 . . . . 25.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 -175.37 4.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.118 -2.179 . . . . 25.0 105.118 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.88 179.52 42.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 119.181 -1.485 . . . . 25.0 114.322 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.39 -176.34 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 124.069 3.179 . . . . 25.0 113.785 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -64.0 -2.95 2.2 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.018 -1.447 . . . . 25.0 113.08 172.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -138.14 160.62 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 63.34 -163.98 0.26 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.032 . . . . 25.0 109.409 -174.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.69 -106.69 2.5 Favored Glycine 0 C--O 1.218 -0.872 0 C-N-CA 121.247 -0.501 . . . . 25.0 112.228 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -124.37 64.23 37.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -72.46 -17.97 26.43 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.412 1.274 . . . . 25.0 115.412 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.7 m -90.89 124.74 35.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.041 0.448 . . . . 25.0 111.376 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.5 m -87.57 124.12 33.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.7 m -114.61 130.37 56.78 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.482 -2.414 . . . . 25.0 104.482 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 59.9 m -96.28 151.09 19.84 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -167.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t -114.7 148.35 38.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.679 -1.146 . . . . 25.0 109.351 -175.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 C--O 1.243 0.738 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 177.836 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 CA-C-O 118.959 -0.912 . . . . 25.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 55.07 41.07 32.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.556 0.693 . . . . 25.0 112.351 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.51 -22.2 21.74 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.386 -0.825 . . . . 25.0 113.866 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.75 148.05 34.49 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -175.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.87 138.87 58.28 Favored 'Cis proline' 0 C--N 1.356 0.947 0 CA-C-N 118.076 0.349 . . . . 25.0 112.306 -2.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.83 -67.57 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 109.736 -1.346 . . . . 25.0 109.736 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -107.94 112.86 25.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.707 0.765 . . . . 25.0 112.53 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.28 -17.21 50.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.191 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.56 -50.71 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.04 -0.412 . . . . 25.0 111.405 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.35 -32.4 73.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.028 -0.36 . . . . 25.0 110.028 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.36 -42.27 98.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.374 0.607 . . . . 25.0 110.052 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -65.79 -45.13 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.854 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.36 -39.59 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.145 -0.347 . . . . 25.0 111.21 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.85 -46.65 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.468 . . . . 25.0 109.738 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.9 -44.38 89.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.11 0.411 . . . . 25.0 112.11 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -61.82 -33.21 73.73 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.112 -0.368 . . . . 25.0 111.261 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.21 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.53 -16.89 62.34 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.812 0.339 . . . . 25.0 111.251 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.5 129.63 1.18 Allowed Glycine 0 C--O 1.218 -0.849 0 C-N-CA 120.849 -0.691 . . . . 25.0 111.479 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -14.3 57.38 Favored Glycine 0 C--O 1.222 -0.633 0 N-CA-C 115.794 1.077 . . . . 25.0 115.794 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.62 -23.03 78.62 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 110.896 -0.882 . . . . 25.0 110.896 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -77.69 127.91 33.22 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.75 -18.08 30.22 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.14 0.495 . . . . 25.0 110.102 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.14 -149.17 10.97 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.234 -0.746 . . . . 25.0 111.234 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.07 166.76 38.9 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.829 -0.908 . . . . 25.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.02 164.22 23.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -107.29 132.54 52.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.673 0.273 . . . . 25.0 110.772 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.22 -177.11 4.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -174.47 41.3 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.016 -1.564 . . . . 25.0 113.919 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -68.24 179.03 3.15 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.441 2.094 . . . . 25.0 113.308 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -67.96 1.21 2.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.62 -1.173 . . . . 25.0 113.25 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -139.2 163.74 31.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 mt 62.06 -153.92 0.35 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.976 0.91 . . . . 25.0 108.632 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.29 -114.83 4.0 Favored Glycine 0 C--O 1.219 -0.789 0 N-CA-C 111.669 -0.572 . . . . 25.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -125.27 66.44 52.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.35 -14.6 28.2 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 116.258 1.599 . . . . 25.0 116.258 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.5 m -94.31 118.34 31.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.946 0.403 . . . . 25.0 111.527 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.17 131.94 35.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 173.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.4 m -125.92 131.66 52.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 103.653 -2.721 . . . . 25.0 103.653 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.07 151.43 19.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 -166.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -117.2 154.91 30.31 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.714 -1.13 . . . . 25.0 109.299 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.255 1.379 0 N-CA-C 101.957 -3.349 . . . . 25.0 101.957 175.098 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 CA-C-O 118.455 -1.192 . . . . 25.0 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 55.37 45.6 25.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 117.883 0.842 . . . . 25.0 111.712 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.31 -21.29 21.87 Favored Glycine 0 C--O 1.225 -0.407 0 CA-C-N 115.454 -0.793 . . . . 25.0 113.661 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.94 145.73 31.28 Favored Pre-proline 0 C--O 1.242 0.702 0 N-CA-C 114.631 1.345 . . . . 25.0 114.631 -175.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.05 142.9 75.35 Favored 'Cis proline' 0 C--N 1.353 0.787 0 CA-C-N 117.92 0.293 . . . . 25.0 112.703 -2.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.63 -66.95 0.52 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 110.126 -1.189 . . . . 25.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -117.14 129.51 56.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.339 0.59 . . . . 25.0 111.89 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.03 -17.52 26.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.916 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -66.57 -48.64 68.96 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 121.791 -0.568 . . . . 25.0 111.271 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.62 -29.1 70.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.035 0.445 . . . . 25.0 110.572 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.77 -41.17 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.503 0.668 . . . . 25.0 109.382 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -65.39 -43.2 91.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 25.0 110.977 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.81 -43.45 94.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 25.0 110.553 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.9 -47.09 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.384 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.41 -44.14 95.47 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 122.01 -0.431 . . . . 25.0 112.092 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -62.38 -35.96 80.78 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.01 -0.431 . . . . 25.0 111.003 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.755 0.28 . . . . 25.0 111.755 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.18 -16.61 62.54 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.15 134.32 1.93 Allowed Glycine 0 C--O 1.217 -0.944 0 C-N-CA 120.073 -1.06 . . . . 25.0 112.945 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.11 -15.26 62.72 Favored Glycine 0 C--O 1.216 -0.997 0 N-CA-C 115.389 0.916 . . . . 25.0 115.389 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.86 -22.54 76.76 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 110.792 -0.923 . . . . 25.0 110.792 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -80.81 125.97 30.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 p -90.56 -17.62 26.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.979 -0.555 . . . . 25.0 110.347 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.45 -154.99 17.88 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.429 -0.668 . . . . 25.0 111.429 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 163.58 37.24 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.13 -0.788 . . . . 25.0 111.13 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -134.52 165.47 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.8 m -101.93 145.7 28.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.53 -176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 104.992 -2.225 . . . . 25.0 104.992 176.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.77 -176.82 43.4 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 119.39 -1.386 . . . . 25.0 114.148 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.88 -179.21 2.38 Favored 'Trans proline' 0 C--O 1.216 -0.585 0 C-N-CA 122.804 2.336 . . . . 25.0 113.488 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -66.77 -2.95 5.65 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.492 -1.231 . . . . 25.0 113.054 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -136.93 162.96 31.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.4 mt 64.62 -159.9 0.29 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.29 1.036 . . . . 25.0 108.375 -172.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.03 -112.56 3.53 Favored Glycine 0 C--O 1.222 -0.636 0 N-CA-C 111.688 -0.565 . . . . 25.0 111.688 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -124.65 65.44 43.92 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.47 -15.73 27.66 Favored 'Trans proline' 0 C--N 1.353 0.783 0 N-CA-C 115.988 1.495 . . . . 25.0 115.988 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -92.62 120.11 32.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.33 133.12 35.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.1 m -125.42 131.8 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.16 -2.534 . . . . 25.0 104.16 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -97.02 152.1 19.07 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.507 0.928 . . . . 25.0 113.507 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -114.56 152.01 32.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.634 -1.167 . . . . 25.0 107.968 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.255 1.363 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 178.769 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 CA-C-O 118.53 -1.15 . . . . 25.0 111.353 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 55.02 45.13 26.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 117.778 0.789 . . . . 25.0 112.051 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.77 -15.11 49.26 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 115.81 -0.632 . . . . 25.0 114.346 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 146.44 34.06 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.44 140.5 62.99 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.975 0.312 . . . . 25.0 112.604 -1.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.0 -68.36 0.44 Allowed Glycine 0 C--O 1.223 -0.546 0 N-CA-C 110.838 -0.905 . . . . 25.0 110.838 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -120.65 126.05 49.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.392 0.615 . . . . 25.0 112.654 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.56 -18.37 33.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.822 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.66 -48.13 67.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.753 -0.592 . . . . 25.0 111.202 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.59 -32.22 73.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.846 -0.533 . . . . 25.0 110.465 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.67 -41.24 98.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 t -64.33 -43.41 94.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.031 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.18 -42.78 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 118.104 0.411 . . . . 25.0 110.602 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.8 -46.68 88.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.318 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.6 m -64.24 -43.17 95.75 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.338 0.496 . . . . 25.0 112.338 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -62.49 -34.23 76.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 25.0 110.953 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.08 72.04 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.28 -17.07 63.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.848 0.356 . . . . 25.0 111.66 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.16 129.81 1.13 Allowed Glycine 0 C--O 1.217 -0.923 0 C-N-CA 120.754 -0.736 . . . . 25.0 111.266 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 -12.53 58.49 Favored Glycine 0 C--O 1.22 -0.737 0 N-CA-C 115.471 0.949 . . . . 25.0 115.471 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.78 -23.65 76.73 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 110.011 -1.235 . . . . 25.0 110.011 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -82.27 126.68 32.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p -86.83 -17.78 32.57 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.14 0.495 . . . . 25.0 109.827 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.75 -150.57 10.92 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.747 -0.661 . . . . 25.0 112.2 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.27 165.42 38.71 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -135.46 163.57 29.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.2 m -102.85 143.49 32.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.68 -174.29 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.949 -2.241 . . . . 25.0 104.949 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.1 178.4 44.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 118.776 -1.678 . . . . 25.0 114.568 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -68.52 -178.27 1.81 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.703 2.936 . . . . 25.0 113.171 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -66.29 0.32 2.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.461 -1.245 . . . . 25.0 113.439 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -134.22 154.46 51.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 64.78 -167.95 0.21 Allowed 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.444 1.09 . . . . 25.0 109.448 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.71 -101.74 1.89 Allowed Glycine 0 C--O 1.221 -0.695 0 C-N-CA 121.115 -0.564 . . . . 25.0 111.861 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -123.74 64.16 30.77 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.07 -18.48 30.89 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.541 1.324 . . . . 25.0 115.541 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.3 m -92.48 125.47 37.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.926 0.393 . . . . 25.0 111.516 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.03 128.75 35.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 171.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 m -119.47 130.98 55.51 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.567 -2.383 . . . . 25.0 104.567 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.22 151.1 19.82 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.028 -0.669 . . . . 25.0 112.033 -169.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 t -118.52 149.3 41.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.801 -1.09 . . . . 25.0 108.241 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 C--O 1.25 1.11 0 N-CA-C 103.19 -2.892 . . . . 25.0 103.19 176.814 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 CA-C-O 118.238 -1.312 . . . . 25.0 111.159 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 54.13 50.61 16.16 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 117.859 0.83 . . . . 25.0 111.864 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.72 -17.14 27.51 Favored Glycine 0 C--O 1.226 -0.403 0 CA-C-N 115.488 -0.778 . . . . 25.0 114.021 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 144.01 28.32 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.22 1.193 . . . . 25.0 114.22 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 83.6 Cg_endo -72.35 144.74 81.43 Favored 'Cis proline' 0 C--N 1.354 0.86 0 CA-C-N 118.059 0.342 . . . . 25.0 112.637 -1.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.14 -66.82 0.52 Allowed Glycine 0 C--O 1.226 -0.399 0 N-CA-C 110.664 -0.975 . . . . 25.0 110.664 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.22 123.21 37.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.47 0.652 . . . . 25.0 111.906 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.2 -12.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.034 -0.53 . . . . 25.0 112.334 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -64.8 -47.79 76.77 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.828 -0.545 . . . . 25.0 110.71 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.47 -29.71 69.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.41 -0.516 . . . . 25.0 111.194 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.12 -39.46 89.94 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.679 -0.638 . . . . 25.0 109.497 175.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -64.34 -43.49 94.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.826 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.28 -42.04 94.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.831 0.348 . . . . 25.0 110.557 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -60.7 -46.37 90.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.693 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 m -64.68 -42.03 95.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.173 0.435 . . . . 25.0 112.173 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -62.98 -34.44 77.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.991 -0.443 . . . . 25.0 111.389 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.51 70.07 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.774 0.321 . . . . 25.0 111.616 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -75.18 -11.82 60.16 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 122.156 -0.34 . . . . 25.0 111.903 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.0 131.56 1.34 Allowed Glycine 0 C--O 1.214 -1.117 0 C-N-CA 120.485 -0.864 . . . . 25.0 111.944 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.53 -15.78 64.42 Favored Glycine 0 C--O 1.222 -0.625 0 C-N-CA 121.026 -0.607 . . . . 25.0 114.549 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.56 -26.49 74.02 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.247 -1.141 . . . . 25.0 110.247 175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -79.01 124.93 28.74 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 106.502 -1.666 . . . . 25.0 106.502 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.5 p -90.87 -16.67 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.67 -152.24 11.68 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.708 -0.678 . . . . 25.0 112.297 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.41 166.47 39.72 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.408 -0.677 . . . . 25.0 111.408 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -132.05 168.85 17.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -111.21 142.87 42.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.78 0.324 . . . . 25.0 111.253 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.06 -177.09 5.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.26 39.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 119.165 -1.493 . . . . 25.0 114.317 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -69.68 -178.84 2.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.961 3.107 . . . . 25.0 114.779 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -65.02 -3.07 3.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.263 -1.335 . . . . 25.0 113.599 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -147.06 165.4 30.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt 64.06 -159.02 0.3 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.09 0.956 . . . . 25.0 108.736 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.78 -122.49 4.97 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.247 0.359 . . . . 25.0 112.902 -176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.425 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 60.1 m80 -122.79 64.03 21.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -74.54 -16.25 21.56 Favored 'Trans proline' 0 C--N 1.352 0.736 0 N-CA-C 115.831 1.435 . . . . 25.0 115.831 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.9 m -85.4 119.28 25.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.004 0.43 . . . . 25.0 111.156 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.1 m -81.63 134.43 35.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 173.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.8 m -127.6 132.98 49.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 104.201 -2.518 . . . . 25.0 104.201 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -97.61 152.24 19.26 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 119.763 -0.775 . . . . 25.0 113.024 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -119.12 154.5 33.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.96 -1.018 . . . . 25.0 108.57 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 102.154 -3.276 . . . . 25.0 102.154 176.185 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 CA-C-O 118.388 -1.229 . . . . 25.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 54.57 48.03 21.33 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.87 0.835 . . . . 25.0 111.707 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.02 -23.0 22.91 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.679 -0.691 . . . . 25.0 113.11 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.37 143.33 26.38 Favored Pre-proline 0 C--O 1.242 0.699 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -177.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.446 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 84.1 Cg_endo -74.74 144.49 81.14 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.966 0.309 . . . . 25.0 112.592 -1.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -64.42 0.58 Allowed Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.89 -0.884 . . . . 25.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -118.85 126.39 51.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.43 0.633 . . . . 25.0 112.402 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.38 -16.78 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.767 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.0 -48.73 64.95 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.839 -0.538 . . . . 25.0 111.432 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.83 -30.5 71.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.806 -0.559 . . . . 25.0 110.537 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.6 -40.9 96.32 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.627 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.68 -42.85 93.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 118.125 0.421 . . . . 25.0 110.926 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.55 -47.0 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 25.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -64.02 -43.33 95.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -62.88 -34.52 77.57 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.016 -0.428 . . . . 25.0 110.842 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.22 72.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.733 0.272 . . . . 25.0 111.733 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.94 -17.13 62.69 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.23 132.14 1.48 Allowed Glycine 0 C--O 1.217 -0.924 0 C-N-CA 120.67 -0.776 . . . . 25.0 112.148 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.37 -14.75 60.26 Favored Glycine 0 C--O 1.222 -0.613 0 N-CA-C 115.866 1.106 . . . . 25.0 115.866 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.69 -23.22 78.28 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 110.558 -1.017 . . . . 25.0 110.558 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -81.19 125.23 30.02 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.52 -17.79 31.28 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 25.0 109.863 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.5 -150.44 12.06 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.714 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.65 166.85 38.18 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.865 -0.894 . . . . 25.0 110.865 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -131.97 165.18 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -111.71 139.98 46.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.706 0.289 . . . . 25.0 110.836 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.46 -175.54 4.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.9 -176.15 43.89 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.019 -1.562 . . . . 25.0 114.428 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.28 -177.97 1.61 Allowed 'Trans proline' 0 C--O 1.218 -0.491 0 C-N-CA 123.911 3.074 . . . . 25.0 113.743 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -65.0 -3.04 3.09 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.291 -1.322 . . . . 25.0 113.638 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -136.12 161.23 36.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 mt 62.37 -160.79 0.3 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -171.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.75 -103.32 2.6 Favored Glycine 0 C--O 1.221 -0.694 0 N-CA-C 111.389 -0.684 . . . . 25.0 111.389 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.446 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 33.7 m80 -128.22 67.35 74.88 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -71.22 -18.25 30.56 Favored 'Trans proline' 0 C--N 1.349 0.595 0 N-CA-C 115.98 1.492 . . . . 25.0 115.98 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -92.31 115.5 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.432 . . . . 25.0 111.406 -173.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.96 132.3 35.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 174.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.8 m -129.14 134.6 48.12 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.48 -2.415 . . . . 25.0 104.48 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.86 151.01 20.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -168.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -117.08 156.6 27.3 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.75 -1.114 . . . . 25.0 108.605 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 102.446 -3.168 . . . . 25.0 102.446 176.464 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.201 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 55.1 45.55 25.91 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 117.744 0.772 . . . . 25.0 111.853 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.56 -19.8 30.65 Favored Glycine 0 C--O 1.226 -0.401 0 CA-C-N 115.63 -0.714 . . . . 25.0 113.728 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 148.38 36.65 Favored Pre-proline 0 C--O 1.244 0.773 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.13 138.44 52.59 Favored 'Cis proline' 0 C--N 1.352 0.739 0 N-CA-C 112.999 0.346 . . . . 25.0 112.999 -0.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.69 -66.64 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -115.23 127.65 55.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.82 -14.55 31.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.702 -0.681 . . . . 25.0 112.222 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -67.64 -50.52 57.54 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.79 -0.569 . . . . 25.0 111.078 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -66.48 -29.36 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 25.0 110.279 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -64.19 -40.86 96.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 25.0 109.445 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 t -65.99 -44.8 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.659 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -58.91 -43.24 91.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.938 0.336 . . . . 25.0 110.986 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.66 -48.21 82.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.311 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 m -63.81 -43.07 97.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.961 0.356 . . . . 25.0 111.961 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -61.91 -36.2 80.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.138 -0.352 . . . . 25.0 110.912 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.43 72.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.85 -18.52 63.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.038 0.385 . . . . 25.0 112.038 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.91 133.26 1.69 Allowed Glycine 0 C--O 1.217 -0.912 0 C-N-CA 120.537 -0.84 . . . . 25.0 112.346 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -14.07 59.59 Favored Glycine 0 C--O 1.221 -0.677 0 N-CA-C 115.742 1.057 . . . . 25.0 115.742 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.34 -21.75 79.35 Favored Glycine 0 C--O 1.222 -0.646 0 N-CA-C 110.811 -0.916 . . . . 25.0 110.811 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -82.4 126.63 32.42 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -83.47 -21.64 32.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.477 0.656 . . . . 25.0 110.541 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.88 -149.14 12.61 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.641 -0.984 . . . . 25.0 110.641 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.38 165.64 38.76 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -130.93 161.37 32.04 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 m -100.68 140.42 34.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.775 0.321 . . . . 25.0 111.676 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.62 -176.68 5.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 104.794 -2.299 . . . . 25.0 104.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.48 179.09 45.11 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.509 -1.329 . . . . 25.0 113.186 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -68.97 -179.41 2.54 Favored 'Trans proline' 0 C--O 1.219 -0.452 0 C-N-CA 123.131 2.554 . . . . 25.0 113.615 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.91 -3.14 6.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.494 -1.23 . . . . 25.0 112.768 172.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -131.72 154.75 48.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt 65.83 -164.69 0.23 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.434 1.093 . . . . 25.0 108.662 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -99.28 -110.14 3.06 Favored Glycine 0 C--O 1.221 -0.674 0 C-N-CA 121.261 -0.495 . . . . 25.0 112.236 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -123.12 63.26 21.99 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -73.99 -17.94 21.88 Favored 'Trans proline' 0 C--N 1.354 0.817 0 N-CA-C 115.353 1.251 . . . . 25.0 115.353 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -88.7 115.84 26.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.124 0.488 . . . . 25.0 111.543 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.98 128.83 34.14 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 172.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.1 m -121.35 132.38 54.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.65 149.19 22.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.297 0.851 . . . . 25.0 113.297 -167.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -111.73 154.71 24.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.471 -1.24 . . . . 25.0 108.01 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.254 1.341 0 N-CA-C 103.642 -2.725 . . . . 25.0 103.642 177.621 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.086 0 CA-C-O 118.569 -1.128 . . . . 25.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 55.9 46.23 22.48 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.576 0.703 . . . . 25.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.31 -23.12 16.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.384 -0.826 . . . . 25.0 112.828 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.58 152.12 40.62 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.84 124.01 7.82 Favored 'Cis proline' 0 C--N 1.35 0.64 0 N-CA-C 114.573 0.951 . . . . 25.0 114.573 0.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.76 -68.83 0.45 Allowed Glycine 0 C--O 1.229 -0.204 0 CA-C-N 115.985 -0.552 . . . . 25.0 112.231 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -89.99 93.93 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.056 0.931 . . . . 25.0 113.006 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -21.41 62.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.379 -0.828 . . . . 25.0 112.25 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -72.83 -43.62 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.751 -0.593 . . . . 25.0 110.031 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.5 -32.65 74.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 25.0 109.951 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.42 -42.0 98.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.218 0.532 . . . . 25.0 109.99 174.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -62.37 -44.76 95.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.783 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.024 0.375 . . . . 25.0 111.088 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -60.51 -47.4 86.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.324 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 m -63.19 -42.8 99.4 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -62.3 -36.36 81.88 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.343 -0.223 . . . . 25.0 110.967 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.51 71.19 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.69 -18.43 62.82 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.49 133.95 1.73 Allowed Glycine 0 C--O 1.217 -0.946 0 C-N-CA 120.169 -1.015 . . . . 25.0 112.439 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.97 -15.37 60.27 Favored Glycine 0 C--O 1.221 -0.715 0 N-CA-C 116.001 1.16 . . . . 25.0 116.001 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.64 77.63 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 110.767 -0.933 . . . . 25.0 110.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -82.86 125.14 31.0 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.4 p -87.12 -19.69 28.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.18 0.514 . . . . 25.0 110.439 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.15 -150.63 11.84 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.869 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.35 165.79 38.43 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.711 -0.956 . . . . 25.0 110.711 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -138.49 167.17 22.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.694 -1.224 . . . . 25.0 107.694 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -110.48 144.0 39.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.95 -171.85 3.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 104.424 -2.435 . . . . 25.0 104.424 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.55 -179.61 44.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 119.202 -1.475 . . . . 25.0 113.502 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -68.48 -179.26 2.24 Favored 'Trans proline' 0 C--O 1.219 -0.441 0 C-N-CA 123.54 2.827 . . . . 25.0 113.672 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -67.58 -2.95 7.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.443 -1.253 . . . . 25.0 113.002 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -129.26 158.07 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt 63.54 -151.63 0.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 -171.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -121.33 -101.39 1.74 Allowed Glycine 0 C--O 1.219 -0.798 0 C-N-CA 121.309 -0.472 . . . . 25.0 112.293 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -121.22 58.06 7.22 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.12 -20.09 16.98 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 116.65 -1.767 . . . . 25.0 115.271 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.6 m -85.16 118.89 24.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.224 0.535 . . . . 25.0 111.839 -173.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.97 132.05 35.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 m -125.05 131.11 53.4 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 104.806 -2.294 . . . . 25.0 104.806 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.9 m -96.24 148.64 22.52 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.279 -0.568 . . . . 25.0 111.89 -170.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -115.49 154.75 28.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.744 -1.116 . . . . 25.0 108.072 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 102.245 -3.243 . . . . 25.0 102.245 177.176 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.153 0 CA-C-O 118.194 -1.337 . . . . 25.0 111.305 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 54.43 48.32 20.86 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.153 0.976 . . . . 25.0 112.39 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.74 -20.14 29.54 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.882 -0.599 . . . . 25.0 113.071 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -102.45 142.84 25.4 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.622 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 83.9 Cg_endo -72.52 144.48 80.74 Favored 'Cis proline' 0 C--N 1.352 0.739 0 CA-C-N 118.043 0.337 . . . . 25.0 112.082 -1.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.97 -66.31 0.54 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.28 -1.128 . . . . 25.0 110.28 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -125.0 123.95 40.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.95 -18.07 38.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.815 -0.629 . . . . 25.0 112.039 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.1 -45.69 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.058 -0.401 . . . . 25.0 110.63 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.09 -33.59 76.11 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.783 -0.573 . . . . 25.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.99 -39.29 90.2 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.621 0.724 . . . . 25.0 109.617 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.3 t -63.98 -43.72 94.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.76 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.88 -42.4 99.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.952 0.342 . . . . 25.0 110.33 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.67 -47.57 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.649 0.262 . . . . 25.0 110.918 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.338 0.495 . . . . 25.0 112.338 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -62.13 -35.82 79.92 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.885 -0.509 . . . . 25.0 110.774 177.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.77 69.81 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.72 -16.38 63.32 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.38 131.75 1.41 Allowed Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.523 -0.846 . . . . 25.0 111.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.82 -13.32 56.37 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 115.951 1.14 . . . . 25.0 115.951 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.44 -22.83 78.24 Favored Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.402 -1.079 . . . . 25.0 110.402 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -84.96 126.66 33.7 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.574 -0.898 . . . . 25.0 108.574 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -94.49 -13.39 26.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.84 0.353 . . . . 25.0 110.896 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.8 -154.8 14.89 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.447 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.84 165.23 37.92 Favored Glycine 0 C--O 1.236 0.269 0 C-N-CA 121.177 -0.535 . . . . 25.0 111.783 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.45 172.0 12.37 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -123.65 142.27 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 121.129 -0.228 . . . . 25.0 110.444 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -175.6 4.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.151 -2.166 . . . . 25.0 105.151 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.42 40.82 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.537 -1.316 . . . . 25.0 113.493 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -67.51 -176.01 0.81 Allowed 'Trans proline' 0 C--O 1.216 -0.606 0 C-N-CA 124.368 3.378 . . . . 25.0 114.604 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.1 -3.6 2.82 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.283 -1.326 . . . . 25.0 113.354 172.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -141.21 164.27 30.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.1 mt 64.46 -162.23 0.27 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.277 1.031 . . . . 25.0 108.456 -173.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.09 -112.44 3.12 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.917 0.731 . . . . 25.0 112.431 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.622 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 45.9 m80 -123.93 64.95 35.2 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -72.26 -17.78 27.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 N-CA-C 115.973 1.489 . . . . 25.0 115.973 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -90.47 115.57 27.73 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.657 0.383 . . . . 25.0 111.28 -174.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.67 141.5 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.1 m -138.06 138.33 38.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.866 -2.272 . . . . 25.0 104.866 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.4 m -96.31 155.7 16.65 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.385 -0.822 . . . . 25.0 113.0 -170.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -120.51 155.03 34.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.657 -1.156 . . . . 25.0 107.982 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--O 1.255 1.373 0 N-CA-C 102.931 -2.989 . . . . 25.0 102.931 177.754 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 118.524 -1.153 . . . . 25.0 111.213 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 55.29 49.17 17.67 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.801 0.801 . . . . 25.0 112.262 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.44 -29.55 8.84 Favored Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.634 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.1 147.43 33.02 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 122.493 -0.416 . . . . 25.0 111.782 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.51 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 97.1 Cg_endo -73.38 133.38 30.4 Favored 'Cis proline' 0 C--N 1.349 0.584 0 CA-C-N 118.125 0.366 . . . . 25.0 112.676 -2.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.55 -67.48 0.48 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -116.8 123.14 46.4 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.88 -13.33 42.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.168 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -67.46 -48.7 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.733 -0.604 . . . . 25.0 110.836 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.42 -31.42 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.066 0.46 . . . . 25.0 110.508 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.26 -42.59 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -62.7 -44.69 95.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 25.0 110.654 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.81 -41.67 96.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.627 0.251 . . . . 25.0 111.147 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.57 -45.69 91.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 25.0 110.62 177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.3 m -62.81 -42.58 99.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.051 -0.405 . . . . 25.0 111.712 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.61 -35.96 79.36 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.17 -0.331 . . . . 25.0 110.677 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.08 73.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.971 0.359 . . . . 25.0 111.971 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.31 -16.68 63.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.33 128.76 1.11 Allowed Glycine 0 C--O 1.217 -0.958 0 N-CA-C 111.143 -0.783 . . . . 25.0 111.143 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.3 -14.16 56.12 Favored Glycine 0 C--O 1.221 -0.689 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.78 -24.14 76.62 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.824 -0.911 . . . . 25.0 110.824 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -78.19 126.27 30.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -88.66 -16.72 31.65 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.04 -149.94 10.72 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.892 -0.67 . . . . 25.0 113.186 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 165.35 38.82 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 109.906 -1.278 . . . . 25.0 109.906 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -137.62 172.38 13.04 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 -178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -120.22 145.73 46.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.986 0.422 . . . . 25.0 112.089 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.48 -161.06 1.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 103.564 -2.754 . . . . 25.0 103.564 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.99 -167.9 30.03 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 119.699 -1.238 . . . . 25.0 116.12 172.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.73 167.33 13.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.62 2.213 . . . . 25.0 112.743 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -69.22 0.54 4.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 116.354 1.983 . . . . 25.0 116.354 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -107.3 149.32 27.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 mt 61.18 -155.2 0.36 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.55 -73.17 0.91 Allowed Glycine 0 C--O 1.219 -0.843 0 C-N-CA 120.858 -0.687 . . . . 25.0 113.129 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.51 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 41.6 m80 -136.52 68.84 60.69 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.77 -26.52 52.65 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 N-CA-C 117.26 1.984 . . . . 25.0 117.26 -176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.4 m -95.05 123.87 38.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.11 133.82 35.54 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.1 m -129.19 133.31 47.51 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.97 151.26 19.59 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.243 -0.583 . . . . 25.0 112.067 -171.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 t -121.89 155.33 35.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.128 -0.942 . . . . 25.0 109.002 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.252 1.23 0 N-CA-C 102.417 -3.179 . . . . 25.0 102.417 175.738 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.98 0 CA-C-O 118.531 -1.149 . . . . 25.0 111.233 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 54.31 45.31 27.5 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 117.72 0.76 . . . . 25.0 111.866 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.24 -15.14 46.5 Favored Glycine 0 C--O 1.225 -0.462 0 CA-C-N 115.559 -0.746 . . . . 25.0 114.435 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -108.61 145.4 31.52 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 113.768 1.025 . . . . 25.0 113.768 -176.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.62 141.6 68.8 Favored 'Cis proline' 0 C--N 1.355 0.904 0 CA-C-N 117.949 0.303 . . . . 25.0 112.35 -1.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.92 -67.01 0.48 Allowed Glycine 0 C--O 1.225 -0.436 0 N-CA-C 110.961 -0.856 . . . . 25.0 110.961 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -122.67 121.58 36.74 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.09 -19.49 40.07 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.665 -0.698 . . . . 25.0 111.858 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -67.91 -45.77 73.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.976 -0.452 . . . . 25.0 111.052 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -63.62 -34.39 77.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.193 0.521 . . . . 25.0 110.501 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.2 t -63.73 -41.72 98.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.628 0.728 . . . . 25.0 109.751 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.5 t -64.43 -44.75 90.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.864 -0.607 . . . . 25.0 111.16 176.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -60.73 -41.67 95.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 118.213 0.46 . . . . 25.0 110.97 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -59.22 -47.59 84.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.179 -0.304 . . . . 25.0 110.179 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.8 m -63.98 -43.0 97.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.291 0.478 . . . . 25.0 112.291 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.1 mtp85 -61.61 -35.41 77.79 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.072 -0.392 . . . . 25.0 110.845 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.66 70.85 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.086 0.402 . . . . 25.0 112.086 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.15 -18.34 63.93 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.789 0.328 . . . . 25.0 111.358 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.97 129.24 1.13 Allowed Glycine 0 C--O 1.219 -0.826 0 N-CA-C 111.023 -0.831 . . . . 25.0 111.023 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -13.96 54.41 Favored Glycine 0 C--O 1.223 -0.562 0 N-CA-C 116.239 1.256 . . . . 25.0 116.239 -177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.46 -25.17 75.85 Favored Glycine 0 C--O 1.223 -0.576 0 N-CA-C 110.475 -1.05 . . . . 25.0 110.475 176.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -78.32 127.1 31.73 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.5 p -89.75 -15.75 31.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.692 -0.484 . . . . 25.0 109.692 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.42 -150.51 11.56 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.583 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.74 166.61 39.8 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 110.003 -1.239 . . . . 25.0 110.003 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -132.33 162.73 30.31 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.5 m -103.75 136.28 43.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.757 0.313 . . . . 25.0 111.251 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -173.06 3.83 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 105.324 -2.102 . . . . 25.0 105.324 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.91 -179.92 41.86 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 119.27 -1.443 . . . . 25.0 114.23 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -68.13 -176.06 0.96 Allowed 'Trans proline' 0 CA--C 1.514 -0.524 0 C-N-CA 123.318 2.679 . . . . 25.0 113.253 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -65.37 0.6 1.4 Allowed 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.018 -1.446 . . . . 25.0 113.495 173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -142.78 163.36 33.02 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.853 -1.166 . . . . 25.0 107.853 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.6 mt 64.15 -163.63 0.26 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.319 1.048 . . . . 25.0 109.767 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.47 -110.12 2.61 Favored Glycine 0 C--O 1.221 -0.7 0 C-N-CA 121.421 -0.419 . . . . 25.0 112.37 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -124.13 63.55 32.61 Favored Pre-proline 0 CA--C 1.544 0.747 0 N-CA-C 112.778 0.659 . . . . 25.0 112.778 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -74.25 -17.33 21.69 Favored 'Trans proline' 0 C--N 1.352 0.752 0 N-CA-C 115.859 1.446 . . . . 25.0 115.859 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.0 m -91.29 116.33 28.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.109 0.481 . . . . 25.0 112.032 -173.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.6 m -81.44 131.66 35.29 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 172.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.4 m -125.82 132.73 52.18 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 104.608 -2.367 . . . . 25.0 104.608 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.1 m -96.02 152.77 18.22 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 113.021 0.748 . . . . 25.0 113.021 -169.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -123.12 155.48 36.9 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.953 -1.021 . . . . 25.0 109.239 -177.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 . . . . . 0 C--O 1.253 1.26 0 N-CA-C 102.829 -3.026 . . . . 25.0 102.829 176.133 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.128 0 CA-C-O 118.402 -1.221 . . . . 25.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 52.21 50.55 18.18 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 117.919 0.86 . . . . 25.0 112.061 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.75 -21.12 24.39 Favored Glycine 0 C--O 1.225 -0.419 0 CA-C-N 115.425 -0.807 . . . . 25.0 113.699 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.58 144.28 28.33 Favored Pre-proline 0 C--O 1.242 0.689 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -175.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.54 143.22 77.15 Favored 'Cis proline' 0 C--N 1.354 0.853 0 O-C-N 121.615 0.271 . . . . 25.0 112.569 -0.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.66 -64.1 0.57 Allowed Glycine 0 C--O 1.226 -0.354 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -118.07 127.63 53.97 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.288 0.566 . . . . 25.0 112.276 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.86 -15.9 29.15 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.805 -0.634 . . . . 25.0 111.939 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -66.03 -51.23 60.11 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.937 -0.477 . . . . 25.0 110.62 -177.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -64.3 -31.12 72.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.403 0.62 . . . . 25.0 110.796 179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.8 t -66.32 -41.18 90.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.402 0.62 . . . . 25.0 109.791 176.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -64.82 -43.92 91.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.237 -0.438 . . . . 25.0 110.231 176.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -58.98 -43.3 91.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.776 0.262 . . . . 25.0 110.605 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 t60 -60.38 -47.92 84.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.564 -0.289 . . . . 25.0 110.872 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.8 m -62.66 -43.29 99.19 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.856 -0.338 . . . . 25.0 111.877 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -63.06 -35.3 79.79 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.237 -0.29 . . . . 25.0 111.129 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.07 -31.56 72.51 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 111.845 0.313 . . . . 25.0 111.845 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.5 mt -69.96 -18.63 63.36 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.115 0.413 . . . . 25.0 112.115 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.02 134.68 1.93 Allowed Glycine 0 C--O 1.218 -0.881 0 C-N-CA 120.289 -0.958 . . . . 25.0 112.164 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.87 -16.2 61.28 Favored Glycine 0 C--O 1.22 -0.753 0 N-CA-C 115.828 1.091 . . . . 25.0 115.828 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.77 -23.11 77.36 Favored Glycine 0 C--O 1.223 -0.564 0 N-CA-C 111.12 -0.792 . . . . 25.0 111.12 176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -80.38 125.19 29.61 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 p -87.68 -20.22 26.58 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.513 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.28 -148.27 11.01 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.593 -1.003 . . . . 25.0 110.593 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.62 168.73 40.78 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.79 -0.719 . . . . 25.0 112.498 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -127.7 168.16 15.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 39.2 m -112.56 138.99 48.52 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.862 -0.335 . . . . 25.0 110.83 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.12 -173.55 3.86 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 104.687 -2.338 . . . . 25.0 104.687 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.64 -175.61 38.86 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 119.141 -1.504 . . . . 25.0 114.973 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.56 -177.52 1.21 Allowed 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.652 2.901 . . . . 25.0 113.683 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -66.46 0.5 2.15 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.154 -1.384 . . . . 25.0 113.204 173.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -145.4 165.68 27.79 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 53.4 mt 64.47 -166.44 0.23 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.347 1.059 . . . . 25.0 109.294 -173.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.19 -110.59 2.6 Favored Glycine 0 C--O 1.221 -0.671 0 C-N-CA 121.45 -0.405 . . . . 25.0 112.256 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -124.78 64.93 43.57 Favored Pre-proline 0 CA--C 1.546 0.826 0 N-CA-C 114.328 1.233 . . . . 25.0 114.328 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -72.76 -17.62 25.71 Favored 'Trans proline' 0 C--N 1.352 0.737 0 N-CA-C 116.037 1.514 . . . . 25.0 116.037 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.5 m -89.94 119.65 30.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.948 0.404 . . . . 25.0 111.411 -173.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -80.93 128.56 33.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.93 -1.507 . . . . 25.0 106.93 172.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -122.28 129.5 52.25 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 104.28 -2.489 . . . . 25.0 104.28 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.78 148.59 22.75 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.088 0.773 . . . . 25.0 113.088 -167.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -112.6 155.72 23.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.607 -1.179 . . . . 25.0 108.466 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--O 1.255 1.369 0 N-CA-C 102.083 -3.303 . . . . 25.0 102.083 175.758 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.254 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 56.27 41.93 28.57 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.713 0.768 . . . . 25.0 111.593 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.98 -23.0 22.8 Favored Glycine 0 C--O 1.229 -0.191 0 CA-C-N 115.095 -0.957 . . . . 25.0 113.224 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.34 150.49 37.65 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 122.182 -0.599 . . . . 25.0 111.701 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.93 129.64 17.13 Favored 'Cis proline' 0 C--N 1.35 0.626 0 N-CA-C 114.427 0.895 . . . . 25.0 114.427 0.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.05 -67.23 0.54 Allowed Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 110.833 -0.907 . . . . 25.0 110.833 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -90.31 88.1 7.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.099 0.952 . . . . 25.0 111.968 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.81 -24.06 63.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.311 -0.859 . . . . 25.0 111.453 178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -70.97 -44.62 65.61 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.128 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -63.79 -36.18 83.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.947 0.403 . . . . 25.0 110.073 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -62.33 -41.33 98.48 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.154 0.502 . . . . 25.0 109.94 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.2 t -64.66 -46.14 83.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.266 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -62.07 -40.14 94.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 118.312 0.505 . . . . 25.0 111.016 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -59.58 -47.61 84.89 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 176.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 m -63.47 -43.73 96.48 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.938 -0.305 . . . . 25.0 111.66 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -60.43 -35.29 75.47 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.061 -0.399 . . . . 25.0 111.17 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.34 70.97 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -70.7 -16.13 62.76 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.788 0.327 . . . . 25.0 111.73 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.12 124.65 0.79 Allowed Glycine 0 C--O 1.22 -0.776 0 N-CA-C 110.594 -1.002 . . . . 25.0 110.594 -179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.52 -13.48 50.79 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 116.373 1.309 . . . . 25.0 116.373 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.28 -23.34 78.1 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 110.867 -0.893 . . . . 25.0 110.867 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.2 mtt85 -75.72 128.45 35.22 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 107.809 -1.182 . . . . 25.0 107.809 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -85.34 -18.96 32.25 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.287 -0.635 . . . . 25.0 109.287 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.07 -147.11 9.43 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 115.754 -0.657 . . . . 25.0 112.917 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.18 166.72 39.69 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 109.722 -1.351 . . . . 25.0 109.722 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.81 164.1 27.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.425 -1.324 . . . . 25.0 107.425 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 28.5 m -110.26 134.35 52.34 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.035 -0.358 . . . . 25.0 110.035 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.12 -170.02 3.25 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.215 -2.143 . . . . 25.0 105.215 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -177.34 43.59 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 119.139 -1.505 . . . . 25.0 114.77 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.81 -176.18 0.92 Allowed 'Trans proline' 0 C--O 1.219 -0.443 0 C-N-CA 124.162 3.241 . . . . 25.0 113.454 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -63.5 -2.86 1.76 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.039 -1.437 . . . . 25.0 113.808 173.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.9 p90 -134.96 156.53 48.84 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.4 mt 64.68 -170.74 0.19 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.521 1.128 . . . . 25.0 109.509 -173.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.24 -94.75 1.71 Allowed Glycine 0 C--O 1.221 -0.663 0 C-N-CA 121.095 -0.574 . . . . 25.0 112.617 -177.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -127.69 63.39 60.0 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 113.939 1.089 . . . . 25.0 113.939 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -71.76 -20.15 26.65 Favored 'Trans proline' 0 C--N 1.352 0.754 0 N-CA-C 115.892 1.458 . . . . 25.0 115.892 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.7 m -96.43 118.44 32.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.04 0.448 . . . . 25.0 112.142 -172.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 m -81.07 131.65 35.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 106.999 -1.482 . . . . 25.0 106.999 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.0 m -127.42 134.09 49.91 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 104.419 -2.438 . . . . 25.0 104.419 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -96.56 153.25 17.95 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.121 -0.632 . . . . 25.0 112.338 -169.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.0 t -126.01 153.93 43.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.283 -0.871 . . . . 25.0 109.584 -175.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 C--O 1.25 1.097 0 N-CA-C 103.371 -2.826 . . . . 25.0 103.371 179.004 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.968 0 CA-C-O 118.527 -1.152 . . . . 25.0 111.311 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 54.78 44.99 27.59 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 117.639 0.719 . . . . 25.0 111.741 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.52 -18.61 32.76 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 115.766 -0.652 . . . . 25.0 114.096 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.28 146.09 32.06 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -176.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 76.2 Cg_endo -72.28 143.17 76.4 Favored 'Cis proline' 0 C--N 1.354 0.83 0 CA-C-N 118.002 0.322 . . . . 25.0 112.51 -1.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.94 -65.18 0.56 Allowed Glycine 0 C--O 1.224 -0.52 0 N-CA-C 110.665 -0.974 . . . . 25.0 110.665 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -118.39 123.22 44.72 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.93 0.715 . . . . 25.0 112.93 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.78 -16.76 35.31 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.622 -0.717 . . . . 25.0 111.727 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -66.63 -50.06 64.21 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 122.1 -0.375 . . . . 25.0 110.74 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -64.0 -33.04 74.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.941 0.4 . . . . 25.0 110.358 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -63.57 -42.34 98.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.204 0.525 . . . . 25.0 109.59 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.4 -45.45 87.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.731 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.55 -41.19 94.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.015 0.371 . . . . 25.0 110.945 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -60.63 -47.44 86.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.01 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 m -64.1 -43.32 95.75 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.058 0.392 . . . . 25.0 112.058 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.8 mtp85 -62.72 -35.01 78.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.725 0.298 . . . . 25.0 110.772 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.6 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.06 0.392 . . . . 25.0 112.06 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.39 -18.65 63.78 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.897 0.332 . . . . 25.0 111.897 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.22 132.85 1.61 Allowed Glycine 0 C--O 1.216 -0.991 0 C-N-CA 120.652 -0.785 . . . . 25.0 111.643 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.57 -15.64 57.63 Favored Glycine 0 C--O 1.22 -0.756 0 N-CA-C 116.084 1.194 . . . . 25.0 116.084 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.65 -24.86 75.42 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 110.862 -0.895 . . . . 25.0 110.862 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.4 mtt85 -79.76 127.9 32.78 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -97.21 -13.32 22.13 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.897 0.38 . . . . 25.0 110.934 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.89 -155.13 18.89 Favored Glycine 0 N--CA 1.445 -0.705 0 N-CA-C 111.347 -0.701 . . . . 25.0 111.347 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.41 165.17 38.62 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.86 -0.896 . . . . 25.0 110.86 178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -132.98 162.62 31.2 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.948 -1.13 . . . . 25.0 107.948 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 21.1 m -106.87 139.37 41.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.865 0.364 . . . . 25.0 111.802 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.58 -173.37 4.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 104.759 -2.312 . . . . 25.0 104.759 177.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.27 -178.77 43.49 Favored Glycine 0 C--N 1.32 -0.325 0 C-N-CA 119.011 -1.566 . . . . 25.0 115.411 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -68.56 -177.25 1.41 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.793 2.995 . . . . 25.0 113.341 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -64.49 -3.01 2.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.166 -1.379 . . . . 25.0 113.718 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -135.79 158.25 44.86 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.9 mt 63.63 -165.23 0.24 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.266 1.026 . . . . 25.0 108.938 -173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.37 -100.29 1.92 Allowed Glycine 0 C--O 1.218 -0.863 0 CA-C-O 121.592 0.551 . . . . 25.0 112.341 -177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.409 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 29.9 m80 -127.19 64.86 62.95 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.346 0.869 . . . . 25.0 113.346 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.94 -17.79 28.41 Favored 'Trans proline' 0 C--N 1.352 0.748 0 N-CA-C 115.82 1.431 . . . . 25.0 115.82 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.9 m -93.45 117.52 30.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.852 0.358 . . . . 25.0 111.721 -173.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.9 m -81.09 133.55 35.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.038 -1.467 . . . . 25.0 107.038 171.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.3 m -125.79 132.88 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 103.839 -2.652 . . . . 25.0 103.839 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.41 151.37 19.62 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.49 0.922 . . . . 25.0 113.49 -168.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -117.22 154.7 30.69 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.455 -1.248 . . . . 25.0 108.62 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.251 1.177 0 N-CA-C 102.522 -3.14 . . . . 25.0 102.522 176.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.164 0 CA-C-O 118.591 -1.116 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 55.23 41.8 31.06 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.647 0.737 . . . . 25.0 111.963 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.47 -12.71 54.82 Favored Glycine 0 C--O 1.224 -0.494 0 CA-C-N 115.548 -0.751 . . . . 25.0 114.593 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.74 144.52 29.75 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 117.838 0.819 . . . . 25.0 113.134 -177.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -72.21 143.12 76.18 Favored 'Cis proline' 0 C--N 1.354 0.817 0 CA-C-N 118.04 0.336 . . . . 25.0 111.851 -1.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 142.71 -68.03 0.45 Allowed Glycine 0 C--O 1.224 -0.511 0 N-CA-C 110.898 -0.881 . . . . 25.0 110.898 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -121.64 120.54 35.04 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -21.84 48.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.417 -0.811 . . . . 25.0 111.815 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -67.96 -47.74 67.78 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.75 -0.593 . . . . 25.0 111.397 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -62.55 -35.22 78.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.249 0.547 . . . . 25.0 110.315 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.4 t -64.26 -41.22 97.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.148 0.499 . . . . 25.0 109.84 176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.08 -44.63 91.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.273 -0.422 . . . . 25.0 110.839 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.61 -43.73 93.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.08 0.4 . . . . 25.0 110.665 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.66 -47.0 87.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.128 -0.487 . . . . 25.0 110.209 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.3 m -63.86 -43.24 96.69 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.189 0.44 . . . . 25.0 112.189 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.6 mtp85 -63.08 -34.61 77.95 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 122.072 -0.393 . . . . 25.0 110.804 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.12 71.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.879 0.325 . . . . 25.0 111.879 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.5 mt -70.71 -17.51 62.82 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.26 130.11 1.21 Allowed Glycine 0 C--O 1.219 -0.8 0 C-N-CA 120.651 -0.785 . . . . 25.0 111.684 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.46 -13.01 57.73 Favored Glycine 0 C--O 1.22 -0.75 0 N-CA-C 116.306 1.282 . . . . 25.0 116.306 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.82 -23.57 77.83 Favored Glycine 0 C--O 1.224 -0.525 0 N-CA-C 110.411 -1.076 . . . . 25.0 110.411 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.1 mtt85 -80.55 127.9 32.97 Favored 'General case' 0 N--CA 1.442 -0.827 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.7 p -89.23 -18.14 27.66 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.06 0.457 . . . . 25.0 109.867 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.0 -149.25 9.79 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.871 -0.604 . . . . 25.0 112.258 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.08 168.3 39.73 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.487 -0.645 . . . . 25.0 111.487 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -131.52 169.12 16.53 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -114.52 136.58 52.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.829 0.347 . . . . 25.0 110.95 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.61 -171.94 3.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 104.579 -2.378 . . . . 25.0 104.579 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.6 -177.96 41.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 119.035 -1.555 . . . . 25.0 114.863 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -67.78 -178.37 1.59 Allowed 'Trans proline' 0 CA--C 1.514 -0.487 0 C-N-CA 123.368 2.712 . . . . 25.0 112.736 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -66.39 0.59 2.06 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 114.347 -1.297 . . . . 25.0 113.184 173.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -139.29 162.85 33.99 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt 63.88 -167.31 0.22 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.325 1.05 . . . . 25.0 109.389 -173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.4 -104.5 2.15 Favored Glycine 0 C--O 1.221 -0.719 0 C-N-CA 121.384 -0.436 . . . . 25.0 112.363 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -125.27 63.7 43.68 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -73.39 -17.61 23.82 Favored 'Trans proline' 0 C--N 1.354 0.85 0 N-CA-C 116.086 1.533 . . . . 25.0 116.086 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -91.5 119.08 31.14 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.841 0.353 . . . . 25.0 111.363 -174.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.1 m -81.1 129.81 34.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 106.579 -1.637 . . . . 25.0 106.579 172.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.4 m -124.76 129.91 51.38 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 103.709 -2.7 . . . . 25.0 103.709 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 58.7 m -96.4 153.51 17.79 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.873 0.694 . . . . 25.0 112.873 -166.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 t -121.26 153.72 37.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.979 -1.009 . . . . 25.0 108.908 -175.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--O 1.252 1.194 0 N-CA-C 103.603 -2.74 . . . . 25.0 103.603 179.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.097 0 CA-C-O 118.544 -1.142 . . . . 25.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 54.67 41.63 31.8 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-O 121.669 0.747 . . . . 25.0 111.687 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.8 -19.23 38.66 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-N 115.117 -0.947 . . . . 25.0 114.281 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.77 147.75 34.32 Favored Pre-proline 0 C--O 1.242 0.685 0 N-CA-C 113.107 0.78 . . . . 25.0 113.107 -177.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -72.31 136.28 42.63 Favored 'Cis proline' 0 C--N 1.353 0.786 0 N-CA-C 113.996 0.729 . . . . 25.0 113.996 0.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.52 -67.93 0.52 Allowed Glycine 0 C--O 1.225 -0.427 0 N-CA-C 110.549 -1.02 . . . . 25.0 110.549 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -98.55 91.49 5.18 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.964 0.887 . . . . 25.0 111.561 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.6 -23.99 61.82 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.637 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -71.18 -43.62 67.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.004 -0.435 . . . . 25.0 109.955 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -62.53 -36.25 82.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.162 0.506 . . . . 25.0 110.245 176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.67 -41.19 98.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.277 0.561 . . . . 25.0 110.032 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -65.49 -44.2 87.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.25 -0.432 . . . . 25.0 111.476 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.62 -41.01 96.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.031 0.378 . . . . 25.0 110.783 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -59.08 -47.44 85.25 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.0 m -64.17 -44.52 91.84 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.978 0.362 . . . . 25.0 111.978 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -61.79 -34.44 75.89 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.072 -0.392 . . . . 25.0 111.301 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -30.38 71.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -71.43 -17.5 62.38 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 122.205 -0.309 . . . . 25.0 111.786 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 168.89 131.84 1.36 Allowed Glycine 0 C--O 1.219 -0.811 0 C-N-CA 120.636 -0.792 . . . . 25.0 112.302 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.06 -11.57 58.81 Favored Glycine 0 C--O 1.219 -0.787 0 N-CA-C 116.002 1.161 . . . . 25.0 116.002 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.4 -22.37 77.67 Favored Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.0 -1.24 . . . . 25.0 110.0 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -81.7 126.65 32.04 Favored 'General case' 0 N--CA 1.438 -1.033 0 N-CA-C 108.806 -0.813 . . . . 25.0 108.806 178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -77.01 -25.39 52.57 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.691 0.758 . . . . 25.0 110.082 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.26 -147.39 11.04 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.026 -1.23 . . . . 25.0 110.026 -177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -161.71 162.99 34.41 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.727 -0.949 . . . . 25.0 110.727 177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -131.0 158.87 39.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.7 m -102.69 132.49 48.79 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.404 -178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.82 -175.34 4.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 104.7 -2.333 . . . . 25.0 104.7 177.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.3 -177.2 42.36 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 119.271 -1.443 . . . . 25.0 112.853 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -67.61 -179.49 2.02 Favored 'Trans proline' 0 C--O 1.219 -0.459 0 C-N-CA 122.665 2.244 . . . . 25.0 113.022 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -66.58 -2.91 5.32 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.377 -1.283 . . . . 25.0 112.784 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 27.0 p90 -134.81 162.02 33.56 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.034 -1.469 . . . . 25.0 107.034 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.0 mt 63.83 -162.47 0.28 Allowed 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.154 0.982 . . . . 25.0 108.674 -172.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.32 -110.63 3.34 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 111.829 -0.509 . . . . 25.0 111.829 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -123.63 63.29 26.93 Favored Pre-proline 0 CA--C 1.546 0.805 0 N-CA-C 113.671 0.989 . . . . 25.0 113.671 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -73.01 -18.27 24.25 Favored 'Trans proline' 0 C--N 1.353 0.773 0 N-CA-C 115.523 1.316 . . . . 25.0 115.523 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 84.8 m -89.19 114.84 26.2 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.241 0.544 . . . . 25.0 111.29 -173.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.05 125.08 29.75 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 106.532 -1.655 . . . . 25.0 106.532 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -119.13 131.03 55.86 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 104.453 -2.425 . . . . 25.0 104.453 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -96.27 143.96 26.88 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.075 -0.65 . . . . 25.0 111.134 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -106.11 155.84 19.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.703 -1.135 . . . . 25.0 108.059 -176.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.256 1.416 0 N-CA-C 103.641 -2.726 . . . . 25.0 103.641 176.739 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.104 0 CA-C-O 118.339 -1.256 . . . . 25.0 111.327 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 54.32 46.06 25.93 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 117.984 0.892 . . . . 25.0 112.057 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.66 -14.46 51.64 Favored Glycine 0 C--O 1.224 -0.51 0 CA-C-N 115.709 -0.678 . . . . 25.0 114.504 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -108.39 143.68 27.95 Favored Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 89.7 Cg_endo -72.08 145.88 84.46 Favored 'Cis proline' 0 C--N 1.352 0.735 0 CA-C-N 117.971 0.311 . . . . 25.0 111.903 -2.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.88 -67.11 0.51 Allowed Glycine 0 CA--C 1.51 -0.279 0 N-CA-C 109.829 -1.308 . . . . 25.0 109.829 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.66 119.88 30.25 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.573 0.701 . . . . 25.0 112.193 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.78 -20.42 46.27 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 115.488 -0.778 . . . . 25.0 111.844 177.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.77 -45.59 74.46 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.681 -0.637 . . . . 25.0 111.325 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -61.98 -34.99 77.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.978 0.418 . . . . 25.0 110.612 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.92 -41.36 97.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.389 0.614 . . . . 25.0 109.839 176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.1 t -64.59 -43.9 92.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.122 -0.49 . . . . 25.0 111.204 176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.84 -42.46 97.81 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.038 -0.414 . . . . 25.0 110.908 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -58.95 -47.73 84.05 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.5 m -63.55 -44.28 94.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.7 mtp85 -61.36 -35.46 77.52 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 122.098 -0.376 . . . . 25.0 111.216 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -30.95 71.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.9 -17.73 64.01 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.027 0.38 . . . . 25.0 112.027 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.74 131.41 1.37 Allowed Glycine 0 C--O 1.22 -0.766 0 C-N-CA 120.215 -0.993 . . . . 25.0 112.246 -179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.34 -14.64 54.77 Favored Glycine 0 C--O 1.22 -0.754 0 N-CA-C 116.085 1.194 . . . . 25.0 116.085 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.98 -24.0 77.18 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 110.569 -1.012 . . . . 25.0 110.569 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 74.6 mtt85 -81.47 127.21 32.57 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.943 -1.132 . . . . 25.0 107.943 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.5 p -93.8 -14.25 26.41 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.05 -153.4 13.0 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.843 -0.694 . . . . 25.0 112.685 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.6 165.66 39.02 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.571 -1.412 . . . . 25.0 109.571 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -134.46 164.54 27.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.737 -1.209 . . . . 25.0 107.737 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 26.1 m -109.07 139.01 44.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.996 -0.372 . . . . 25.0 109.996 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.67 -171.69 3.66 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 105.257 -2.127 . . . . 25.0 105.257 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.97 -178.15 45.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.014 -1.565 . . . . 25.0 114.942 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -68.65 -175.59 0.95 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.891 3.061 . . . . 25.0 113.77 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -63.2 -2.84 1.51 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.133 -1.394 . . . . 25.0 114.285 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -138.08 160.56 39.06 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.064 -0.717 . . . . 25.0 109.064 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.3 mt 64.45 -164.66 0.25 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.669 1.188 . . . . 25.0 108.725 -173.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.06 -99.49 1.85 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 120.992 -0.623 . . . . 25.0 111.999 -177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 56.6 m80 -128.75 65.11 71.77 Favored Pre-proline 0 CA--C 1.546 0.824 0 O-C-N 122.297 -0.531 . . . . 25.0 112.227 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -71.81 -19.23 27.59 Favored 'Trans proline' 0 C--N 1.354 0.851 0 N-CA-C 116.376 1.644 . . . . 25.0 116.376 -177.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.3 m -92.81 117.64 30.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.055 0.455 . . . . 25.0 111.508 -173.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.05 134.39 35.66 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 107.135 -1.432 . . . . 25.0 107.135 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.4 m -129.66 133.75 47.28 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 104.483 -2.414 . . . . 25.0 104.483 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 77.0 m -96.43 152.37 18.68 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.081 -0.648 . . . . 25.0 112.111 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t -121.15 154.26 36.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.878 -1.055 . . . . 25.0 108.765 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 . . . . . 0 C--O 1.256 1.421 0 N-CA-C 102.618 -3.105 . . . . 25.0 102.618 177.734 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 CA-C-O 118.5 -1.167 . . . . 25.0 111.168 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 54.93 45.98 25.36 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.803 0.811 . . . . 25.0 111.479 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.25 -24.12 17.96 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.0 -1.0 . . . . 25.0 113.058 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.98 146.1 30.91 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -177.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.4 132.3 25.25 Favored 'Cis proline' 0 C--N 1.351 0.705 0 N-CA-C 113.723 0.624 . . . . 25.0 113.723 0.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.15 -68.15 0.49 Allowed Glycine 0 C--O 1.226 -0.376 0 N-CA-C 111.571 -0.612 . . . . 25.0 111.571 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -99.65 98.44 9.29 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.779 0.8 . . . . 25.0 112.071 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.11 -23.78 61.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.017 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -71.34 -44.31 65.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.922 -0.486 . . . . 25.0 110.239 -178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -34.22 77.24 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.478 0.656 . . . . 25.0 110.046 177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.58 -40.44 95.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.116 0.484 . . . . 25.0 110.27 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -63.46 -42.36 98.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.548 -0.296 . . . . 25.0 110.729 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -61.32 -42.81 99.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.19 -0.319 . . . . 25.0 110.679 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -61.0 -45.14 96.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.723 0.297 . . . . 25.0 110.565 177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 m -62.37 -44.46 96.42 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.003 -0.436 . . . . 25.0 111.483 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -61.51 -36.16 79.74 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 122.259 -0.276 . . . . 25.0 111.094 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.85 -31.34 71.88 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 111.986 0.365 . . . . 25.0 111.986 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.08 -18.33 64.64 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 111.881 0.326 . . . . 25.0 111.881 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.46 132.74 1.6 Allowed Glycine 0 C--O 1.219 -0.785 0 C-N-CA 120.407 -0.902 . . . . 25.0 111.945 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.85 -13.73 57.21 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 115.453 0.941 . . . . 25.0 115.453 -178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.72 -22.65 78.9 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 111.127 -0.789 . . . . 25.0 111.127 175.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -84.05 126.95 33.56 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 108.409 -0.96 . . . . 25.0 108.409 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.8 p -92.39 -15.37 27.33 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.491 -0.322 . . . . 25.0 110.515 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.38 -154.47 14.74 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.017 -0.611 . . . . 25.0 112.387 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.9 165.17 36.83 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.049 -0.596 . . . . 25.0 111.655 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -135.02 172.8 12.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.551 -1.277 . . . . 25.0 107.551 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.4 m -112.98 147.66 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.982 0.734 . . . . 25.0 112.982 -177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.74 -170.71 3.73 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 103.559 -2.756 . . . . 25.0 103.559 177.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.5 174.04 39.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 119.158 -1.496 . . . . 25.0 115.004 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -68.37 -176.48 1.12 Allowed 'Trans proline' 0 CA--C 1.514 -0.486 0 C-N-CA 122.888 2.392 . . . . 25.0 113.073 177.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -65.46 0.48 1.51 Allowed 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.009 -1.45 . . . . 25.0 113.459 172.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -138.44 158.53 44.1 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.2 mt 64.15 -168.11 0.21 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.413 1.085 . . . . 25.0 110.485 -175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.57 -103.42 1.96 Allowed Glycine 0 C--O 1.218 -0.864 0 C-N-CA 121.493 -0.385 . . . . 25.0 112.576 -176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -123.69 61.56 22.81 Favored Pre-proline 0 CA--C 1.545 0.762 0 N-CA-C 114.202 1.186 . . . . 25.0 114.202 179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -75.52 -18.02 17.97 Favored 'Trans proline' 0 C--N 1.353 0.799 0 N-CA-C 115.607 1.349 . . . . 25.0 115.607 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.2 m -86.06 122.68 30.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.93 0.395 . . . . 25.0 111.892 -173.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -81.05 128.62 33.92 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 171.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.9 m -120.22 125.32 47.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 104.143 -2.54 . . . . 25.0 104.143 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.3 m -97.53 150.35 21.19 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 119.985 -0.686 . . . . 25.0 112.828 -166.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.3 t -116.31 143.6 45.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.649 -1.159 . . . . 25.0 107.993 -176.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--O 1.247 0.96 0 N-CA-C 103.834 -2.654 . . . . 25.0 103.834 177.857 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.203 0 CA-C-O 118.597 -1.113 . . . . 25.0 111.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 56.57 41.85 28.0 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.701 0.762 . . . . 25.0 111.645 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.42 -24.23 20.78 Favored Glycine 0 CA--C 1.511 -0.215 0 CA-C-N 115.09 -0.959 . . . . 25.0 113.088 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.34 148.06 33.91 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 112.652 0.612 . . . . 25.0 112.652 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.28 134.04 32.17 Favored 'Cis proline' 0 C--N 1.35 0.655 0 N-CA-C 114.021 0.739 . . . . 25.0 114.021 -0.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 136.49 -67.21 0.54 Allowed Glycine 0 C--O 1.225 -0.424 0 N-CA-C 110.577 -1.009 . . . . 25.0 110.577 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -96.88 90.72 5.33 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 122.146 0.974 . . . . 25.0 112.114 -177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.79 -24.06 61.68 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.318 -0.855 . . . . 25.0 111.479 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -68.33 -45.61 72.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.128 -0.693 . . . . 25.0 109.128 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -63.72 -35.65 81.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.037 0.446 . . . . 25.0 110.924 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.1 t -63.4 -41.4 98.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.177 0.513 . . . . 25.0 109.94 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.7 t -64.32 -44.52 91.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.837 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.77 -40.62 95.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.236 -0.29 . . . . 25.0 111.103 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -61.55 -46.52 89.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.599 0.238 . . . . 25.0 110.399 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 m -61.79 -43.67 98.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.04 -0.413 . . . . 25.0 111.182 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -61.36 -35.86 78.6 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 122.098 -0.376 . . . . 25.0 111.277 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.02 71.69 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.073 0.397 . . . . 25.0 112.073 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.8 -17.73 64.07 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 120.718 0.294 . . . . 25.0 111.589 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.85 127.28 0.93 Allowed Glycine 0 C--O 1.218 -0.892 0 N-CA-C 110.874 -0.89 . . . . 25.0 110.874 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.42 -11.31 52.38 Favored Glycine 0 C--O 1.22 -0.779 0 N-CA-C 116.467 1.347 . . . . 25.0 116.467 -176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.15 -22.97 78.54 Favored Glycine 0 C--O 1.222 -0.604 0 N-CA-C 110.371 -1.092 . . . . 25.0 110.371 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 -79.52 128.26 33.15 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.8 p -81.77 -22.21 37.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.386 0.612 . . . . 25.0 109.927 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.9 -147.76 10.34 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.321 -0.854 . . . . 25.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.75 165.71 39.05 Favored Glycine 0 N--CA 1.449 -0.483 0 N-CA-C 111.282 -0.727 . . . . 25.0 111.282 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -133.28 166.87 21.48 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.855 -1.165 . . . . 25.0 107.855 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 18.8 m -113.33 140.13 48.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.537 0.208 . . . . 25.0 111.262 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.91 -171.13 3.75 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 105.423 -2.066 . . . . 25.0 105.423 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.52 -175.29 41.95 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 119.608 -1.282 . . . . 25.0 112.727 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -67.82 -179.02 1.85 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 122.917 2.412 . . . . 25.0 113.134 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -65.45 -3.11 3.88 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 114.535 -1.211 . . . . 25.0 112.938 172.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -132.17 156.19 46.86 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.219 -1.4 . . . . 25.0 107.219 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 mt 66.3 -172.94 0.19 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.548 1.139 . . . . 25.0 109.386 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.31 -105.01 1.86 Allowed Glycine 0 C--O 1.219 -0.818 0 C-N-CA 121.174 -0.536 . . . . 25.0 112.432 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -123.16 62.51 20.52 Favored Pre-proline 0 CA--C 1.546 0.823 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -71.04 -20.53 28.73 Favored 'Trans proline' 0 C--N 1.351 0.702 0 N-CA-C 115.308 1.234 . . . . 25.0 115.308 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -92.94 115.94 28.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.128 0.49 . . . . 25.0 112.034 -172.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.04 132.05 35.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.3 m -126.96 132.91 50.72 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 104.58 -2.378 . . . . 25.0 104.58 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.7 m -96.85 152.08 19.04 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.107 -0.637 . . . . 25.0 112.43 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -117.43 154.65 31.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.84 -1.073 . . . . 25.0 108.459 -176.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.254 1.342 0 N-CA-C 103.661 -2.718 . . . . 25.0 103.661 177.233 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.011 0 CA-C-O 118.787 -1.007 . . . . 25.0 111.419 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 55.19 43.19 29.76 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.585 0.707 . . . . 25.0 111.94 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.72 -20.04 25.92 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.409 -0.814 . . . . 25.0 113.878 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.43 145.61 30.9 Favored Pre-proline 0 C--O 1.242 0.687 0 O-C-N 122.262 -0.552 . . . . 25.0 111.618 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.403 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 96.2 Cg_endo -74.53 137.7 51.7 Favored 'Cis proline' 0 C--N 1.353 0.79 0 N-CA-C 114.067 0.757 . . . . 25.0 114.067 -0.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 131.25 -64.61 0.61 Allowed Glycine 0 C--O 1.227 -0.339 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 177.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -97.5 90.66 5.12 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.144 0.973 . . . . 25.0 111.068 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -18.95 60.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.319 -0.855 . . . . 25.0 111.508 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -72.36 -45.2 60.91 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -62.8 -34.38 77.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.291 0.567 . . . . 25.0 110.267 176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.75 -41.72 97.97 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 121.341 0.591 . . . . 25.0 110.005 175.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -64.42 -43.76 93.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 25.0 110.973 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -60.65 -42.02 96.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 117.872 0.305 . . . . 25.0 110.858 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -58.52 -47.96 82.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.809 0.337 . . . . 25.0 110.282 177.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.9 m -64.37 -44.53 91.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.974 0.361 . . . . 25.0 111.974 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -61.9 -33.81 74.9 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.008 -0.433 . . . . 25.0 111.36 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.56 72.83 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 111.704 0.261 . . . . 25.0 111.704 177.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.65 -15.87 62.24 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 111.785 0.291 . . . . 25.0 111.785 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.43 131.97 1.4 Allowed Glycine 0 C--O 1.219 -0.823 0 C-N-CA 120.58 -0.819 . . . . 25.0 112.586 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.63 -12.41 61.67 Favored Glycine 0 C--O 1.221 -0.712 0 N-CA-C 115.146 0.818 . . . . 25.0 115.146 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.3 -21.93 78.55 Favored Glycine 0 C--O 1.22 -0.764 0 N-CA-C 110.498 -1.041 . . . . 25.0 110.498 175.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 -81.42 126.05 31.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.098 -0.704 . . . . 25.0 109.098 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.8 p -79.28 -25.24 42.49 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.409 0.623 . . . . 25.0 109.918 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.99 -145.99 9.32 Favored Glycine 0 N--CA 1.445 -0.748 0 N-CA-C 110.681 -0.968 . . . . 25.0 110.681 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -162.48 166.18 36.47 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 111.603 -0.599 . . . . 25.0 111.603 178.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -127.45 168.6 14.66 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.595 -1.631 . . . . 25.0 106.595 179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -119.02 140.7 49.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.722 0.296 . . . . 25.0 110.307 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.18 -171.87 3.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.294 -2.484 . . . . 25.0 104.294 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.08 -177.19 41.46 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 118.971 -1.585 . . . . 25.0 114.724 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -67.66 -177.99 1.41 Allowed 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 123.5 2.8 . . . . 25.0 113.175 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -66.17 0.62 1.9 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.17 -1.377 . . . . 25.0 113.272 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -139.9 161.58 37.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.6 mt 62.99 -164.37 0.25 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.234 1.014 . . . . 25.0 109.308 -173.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.62 -104.56 2.33 Favored Glycine 0 C--O 1.222 -0.655 0 C-N-CA 121.236 -0.506 . . . . 25.0 112.699 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 20.2 m80 -125.45 63.51 44.42 Favored Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 113.828 1.047 . . . . 25.0 113.828 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.21 -17.83 27.41 Favored 'Trans proline' 0 C--N 1.353 0.779 0 N-CA-C 115.972 1.489 . . . . 25.0 115.972 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.9 m -91.37 119.11 31.1 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.832 0.349 . . . . 25.0 111.653 -173.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -81.01 136.0 35.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.089 -1.078 . . . . 25.0 108.089 172.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.4 m -130.54 133.36 46.17 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 104.156 -2.535 . . . . 25.0 104.156 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.09 148.53 22.59 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 112.732 0.641 . . . . 25.0 112.732 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 t -110.48 155.13 22.67 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 114.829 -1.078 . . . . 25.0 108.714 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 . . . . . 0 C--O 1.255 1.392 0 N-CA-C 103.213 -2.884 . . . . 25.0 103.213 175.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.98 0 CA-C-O 118.496 -1.169 . . . . 25.0 111.169 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 54.87 50.0 16.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 117.69 0.745 . . . . 25.0 111.548 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.95 -24.01 14.92 Favored Glycine 0 C--O 1.226 -0.369 0 CA-C-N 115.607 -0.724 . . . . 25.0 112.946 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.21 146.91 33.63 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 113.776 1.028 . . . . 25.0 113.776 -175.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.13 139.09 56.34 Favored 'Cis proline' 0 C--N 1.354 0.849 0 N-CA-C 112.978 0.338 . . . . 25.0 112.978 -1.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.43 -66.73 0.52 Allowed Glycine 0 C--O 1.223 -0.534 0 N-CA-C 110.799 -0.92 . . . . 25.0 110.799 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -117.79 128.45 54.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.329 0.585 . . . . 25.0 112.441 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.04 -13.88 32.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.722 -0.672 . . . . 25.0 112.181 178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -66.5 -50.29 63.74 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 121.662 -0.649 . . . . 25.0 111.034 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.61 -29.36 69.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.24 0.543 . . . . 25.0 110.586 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.3 t -64.83 -41.56 95.65 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.9 t -64.62 -44.35 90.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.042 -0.527 . . . . 25.0 110.704 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -59.22 -43.26 92.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 122.194 -0.316 . . . . 25.0 110.985 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -61.49 -47.12 87.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.619 0.247 . . . . 25.0 110.603 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.6 m -61.73 -43.1 99.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.883 -0.327 . . . . 25.0 111.662 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -61.65 -37.41 83.91 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.261 -0.275 . . . . 25.0 111.03 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.97 -30.94 71.96 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.103 0.409 . . . . 25.0 112.103 178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.63 -17.48 63.52 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.382 0.512 . . . . 25.0 112.382 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.91 132.79 1.57 Allowed Glycine 0 C--O 1.216 -0.975 0 C-N-CA 120.595 -0.812 . . . . 25.0 112.091 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.52 -14.71 58.12 Favored Glycine 0 C--O 1.221 -0.702 0 N-CA-C 116.478 1.351 . . . . 25.0 116.478 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.4 -22.94 78.68 Favored Glycine 0 C--O 1.223 -0.533 0 N-CA-C 110.67 -0.972 . . . . 25.0 110.67 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -82.07 128.12 33.8 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 42.8 p -90.13 -17.98 26.65 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.138 0.494 . . . . 25.0 109.981 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.08 -150.07 12.6 Favored Glycine 0 CA--C 1.504 -0.645 0 N-CA-C 111.25 -0.74 . . . . 25.0 111.25 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.35 167.65 40.65 Favored Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.553 -0.619 . . . . 25.0 111.553 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -130.78 163.08 28.12 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.556 -1.276 . . . . 25.0 107.556 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.4 m -101.96 142.29 33.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 111.737 0.273 . . . . 25.0 111.737 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 -175.37 4.94 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 105.118 -2.179 . . . . 25.0 105.118 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -169.88 179.52 42.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 119.181 -1.485 . . . . 25.0 114.322 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.39 -176.34 1.1 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 124.069 3.179 . . . . 25.0 113.785 178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -64.0 -2.95 2.2 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 114.018 -1.447 . . . . 25.0 113.08 172.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -138.14 160.62 38.93 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 63.34 -163.98 0.26 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.279 1.032 . . . . 25.0 109.409 -174.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.69 -106.69 2.5 Favored Glycine 0 C--O 1.218 -0.872 0 C-N-CA 121.247 -0.501 . . . . 25.0 112.228 -177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -124.37 64.23 37.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.506 0.928 . . . . 25.0 113.506 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -72.46 -17.97 26.43 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.412 1.274 . . . . 25.0 115.412 -179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.7 m -90.89 124.74 35.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.041 0.448 . . . . 25.0 111.376 -173.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.5 m -87.57 124.12 33.16 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 172.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.7 m -114.61 130.37 56.78 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.482 -2.414 . . . . 25.0 104.482 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 59.9 m -96.28 151.09 19.84 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.071 0.767 . . . . 25.0 113.071 -167.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t -114.7 148.35 38.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.679 -1.146 . . . . 25.0 109.351 -175.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 . . . . . 0 C--O 1.243 0.738 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 177.836 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 CA-C-O 118.959 -0.912 . . . . 25.0 111.3 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 55.07 41.07 32.06 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.556 0.693 . . . . 25.0 112.351 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.51 -22.2 21.74 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.386 -0.825 . . . . 25.0 113.866 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.75 148.05 34.49 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -175.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.87 138.87 58.28 Favored 'Cis proline' 0 C--N 1.356 0.947 0 CA-C-N 118.076 0.349 . . . . 25.0 112.306 -2.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.83 -67.57 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 109.736 -1.346 . . . . 25.0 109.736 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -107.94 112.86 25.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.707 0.765 . . . . 25.0 112.53 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.28 -17.21 50.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.528 -0.76 . . . . 25.0 111.191 176.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -68.56 -50.71 49.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.04 -0.412 . . . . 25.0 111.405 -175.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -63.35 -32.4 73.81 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.028 -0.36 . . . . 25.0 110.028 177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.8 t -63.36 -42.27 98.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.374 0.607 . . . . 25.0 110.052 177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -65.79 -45.13 83.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.854 176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -62.36 -39.59 93.67 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.145 -0.347 . . . . 25.0 111.21 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.85 -46.65 88.61 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.468 . . . . 25.0 109.738 176.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.4 m -64.9 -44.38 89.78 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.11 0.411 . . . . 25.0 112.11 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -61.82 -33.21 73.73 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 122.112 -0.368 . . . . 25.0 111.261 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -30.21 70.33 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.912 0.338 . . . . 25.0 111.912 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.9 mt -71.53 -16.89 62.34 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.812 0.339 . . . . 25.0 111.251 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.5 129.63 1.18 Allowed Glycine 0 C--O 1.218 -0.849 0 C-N-CA 120.849 -0.691 . . . . 25.0 111.479 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.59 -14.3 57.38 Favored Glycine 0 C--O 1.222 -0.633 0 N-CA-C 115.794 1.077 . . . . 25.0 115.794 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.62 -23.03 78.62 Favored Glycine 0 C--O 1.223 -0.59 0 N-CA-C 110.896 -0.882 . . . . 25.0 110.896 176.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -77.69 127.91 33.22 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.633 -1.247 . . . . 25.0 107.633 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.75 -18.08 30.22 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.14 0.495 . . . . 25.0 110.102 -178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.14 -149.17 10.97 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.234 -0.746 . . . . 25.0 111.234 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.07 166.76 38.9 Favored Glycine 0 N--CA 1.447 -0.594 0 N-CA-C 110.829 -0.908 . . . . 25.0 110.829 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -129.02 164.22 23.7 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.514 -1.291 . . . . 25.0 107.514 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -107.29 132.54 52.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.673 0.273 . . . . 25.0 110.772 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.22 -177.11 4.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 104.571 -2.381 . . . . 25.0 104.571 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.53 -174.47 41.3 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 119.016 -1.564 . . . . 25.0 113.919 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -68.24 179.03 3.15 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.441 2.094 . . . . 25.0 113.308 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -67.96 1.21 2.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.62 -1.173 . . . . 25.0 113.25 173.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -139.2 163.74 31.64 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.7 mt 62.06 -153.92 0.35 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.976 0.91 . . . . 25.0 108.632 -172.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.29 -114.83 4.0 Favored Glycine 0 C--O 1.219 -0.789 0 N-CA-C 111.669 -0.572 . . . . 25.0 111.669 -177.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -125.27 66.44 52.79 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 113.123 0.786 . . . . 25.0 113.123 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -72.35 -14.6 28.2 Favored 'Trans proline' 0 C--N 1.352 0.715 0 N-CA-C 116.258 1.599 . . . . 25.0 116.258 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.5 m -94.31 118.34 31.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.946 0.403 . . . . 25.0 111.527 -173.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 23.5 m -81.17 131.94 35.33 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 173.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.4 m -125.92 131.66 52.27 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 103.653 -2.721 . . . . 25.0 103.653 178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.07 151.43 19.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 113.39 0.885 . . . . 25.0 113.39 -166.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.7 t -117.2 154.91 30.31 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 114.714 -1.13 . . . . 25.0 109.299 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.255 1.379 0 N-CA-C 101.957 -3.349 . . . . 25.0 101.957 175.098 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.326 0 CA-C-O 118.455 -1.192 . . . . 25.0 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 55.37 45.6 25.08 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 117.883 0.842 . . . . 25.0 111.712 178.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.31 -21.29 21.87 Favored Glycine 0 C--O 1.225 -0.407 0 CA-C-N 115.454 -0.793 . . . . 25.0 113.661 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -104.94 145.73 31.28 Favored Pre-proline 0 C--O 1.242 0.702 0 N-CA-C 114.631 1.345 . . . . 25.0 114.631 -175.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.05 142.9 75.35 Favored 'Cis proline' 0 C--N 1.353 0.787 0 CA-C-N 117.92 0.293 . . . . 25.0 112.703 -2.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 138.63 -66.95 0.52 Allowed Glycine 0 C--O 1.225 -0.458 0 N-CA-C 110.126 -1.189 . . . . 25.0 110.126 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -117.14 129.51 56.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.339 0.59 . . . . 25.0 111.89 178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.03 -17.52 26.12 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.715 -0.675 . . . . 25.0 111.916 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -66.57 -48.64 68.96 Favored 'General case' 0 C--O 1.222 -0.368 0 O-C-N 121.791 -0.568 . . . . 25.0 111.271 -175.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.62 -29.1 70.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.035 0.445 . . . . 25.0 110.572 178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.77 -41.17 92.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.503 0.668 . . . . 25.0 109.382 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 t -65.39 -43.2 91.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.018 -0.537 . . . . 25.0 110.977 175.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.81 -43.45 94.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.686 0.279 . . . . 25.0 110.553 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.9 -47.09 87.16 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.39 -0.368 . . . . 25.0 110.384 178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.8 m -63.41 -44.14 95.47 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 122.01 -0.431 . . . . 25.0 112.092 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -62.38 -35.96 80.78 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.01 -0.431 . . . . 25.0 111.003 179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.755 0.28 . . . . 25.0 111.755 177.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.9 mt -71.18 -16.61 62.54 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.455 0.539 . . . . 25.0 112.455 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 176.15 134.32 1.93 Allowed Glycine 0 C--O 1.217 -0.944 0 C-N-CA 120.073 -1.06 . . . . 25.0 112.945 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.11 -15.26 62.72 Favored Glycine 0 C--O 1.216 -0.997 0 N-CA-C 115.389 0.916 . . . . 25.0 115.389 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.86 -22.54 76.76 Favored Glycine 0 C--O 1.221 -0.708 0 N-CA-C 110.792 -0.923 . . . . 25.0 110.792 176.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -80.81 125.97 30.75 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.2 p -90.56 -17.62 26.66 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.979 -0.555 . . . . 25.0 110.347 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.45 -154.99 17.88 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.429 -0.668 . . . . 25.0 111.429 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 163.58 37.24 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.13 -0.788 . . . . 25.0 111.13 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -134.52 165.47 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 14.8 m -101.93 145.7 28.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.53 -176.16 5.14 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 104.992 -2.225 . . . . 25.0 104.992 176.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.77 -176.82 43.4 Favored Glycine 0 C--N 1.319 -0.371 0 C-N-CA 119.39 -1.386 . . . . 25.0 114.148 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -68.88 -179.21 2.38 Favored 'Trans proline' 0 C--O 1.216 -0.585 0 C-N-CA 122.804 2.336 . . . . 25.0 113.488 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -66.77 -2.95 5.65 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.492 -1.231 . . . . 25.0 113.054 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -136.93 162.96 31.83 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.4 mt 64.62 -159.9 0.29 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.29 1.036 . . . . 25.0 108.375 -172.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -101.03 -112.56 3.53 Favored Glycine 0 C--O 1.222 -0.636 0 N-CA-C 111.688 -0.565 . . . . 25.0 111.688 -177.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -124.65 65.44 43.92 Favored Pre-proline 0 CA--C 1.545 0.766 0 N-CA-C 112.872 0.693 . . . . 25.0 112.872 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -72.47 -15.73 27.66 Favored 'Trans proline' 0 C--N 1.353 0.783 0 N-CA-C 115.988 1.495 . . . . 25.0 115.988 -178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -92.62 120.11 32.72 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.171 0.434 . . . . 25.0 112.171 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 12.0 m -81.33 133.12 35.38 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 172.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.1 m -125.42 131.8 52.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 104.16 -2.534 . . . . 25.0 104.16 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -97.02 152.1 19.07 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 113.507 0.928 . . . . 25.0 113.507 -166.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -114.56 152.01 32.46 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.634 -1.167 . . . . 25.0 107.968 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.255 1.363 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 178.769 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.276 0 CA-C-O 118.53 -1.15 . . . . 25.0 111.353 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 55.02 45.13 26.99 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 117.778 0.789 . . . . 25.0 112.051 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.77 -15.11 49.26 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 115.81 -0.632 . . . . 25.0 114.346 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.69 146.44 34.06 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.883 1.068 . . . . 25.0 113.883 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.44 140.5 62.99 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.975 0.312 . . . . 25.0 112.604 -1.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.0 -68.36 0.44 Allowed Glycine 0 C--O 1.223 -0.546 0 N-CA-C 110.838 -0.905 . . . . 25.0 110.838 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -120.65 126.05 49.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.392 0.615 . . . . 25.0 112.654 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.56 -18.37 33.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.664 -0.698 . . . . 25.0 111.822 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -67.66 -48.13 67.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 121.753 -0.592 . . . . 25.0 111.202 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -64.59 -32.22 73.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.846 -0.533 . . . . 25.0 110.465 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.1 t -63.67 -41.24 98.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 t -64.33 -43.41 94.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.155 -0.475 . . . . 25.0 111.031 176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -60.18 -42.78 95.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 118.104 0.411 . . . . 25.0 110.602 177.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -59.8 -46.68 88.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.375 -0.375 . . . . 25.0 110.318 177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.6 m -64.24 -43.17 95.75 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.338 0.496 . . . . 25.0 112.338 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.4 mtp85 -62.49 -34.23 76.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.68 0.276 . . . . 25.0 110.953 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.27 -31.08 72.04 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.1 mt -70.28 -17.07 63.09 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.848 0.356 . . . . 25.0 111.66 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 169.16 129.81 1.13 Allowed Glycine 0 C--O 1.217 -0.923 0 C-N-CA 120.754 -0.736 . . . . 25.0 111.266 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.31 -12.53 58.49 Favored Glycine 0 C--O 1.22 -0.737 0 N-CA-C 115.471 0.949 . . . . 25.0 115.471 -178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.78 -23.65 76.73 Favored Glycine 0 C--O 1.223 -0.591 0 N-CA-C 110.011 -1.235 . . . . 25.0 110.011 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 mtt85 -82.27 126.68 32.4 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 175.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.9 p -86.83 -17.78 32.57 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 121.14 0.495 . . . . 25.0 109.827 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.75 -150.57 10.92 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.747 -0.661 . . . . 25.0 112.2 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.27 165.42 38.71 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -135.46 163.57 29.77 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 -179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 12.2 m -102.85 143.49 32.4 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.68 -174.29 4.57 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 104.949 -2.241 . . . . 25.0 104.949 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -172.1 178.4 44.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 118.776 -1.678 . . . . 25.0 114.568 178.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -68.52 -178.27 1.81 Allowed 'Trans proline' 0 C--O 1.218 -0.513 0 C-N-CA 123.703 2.936 . . . . 25.0 113.171 178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -66.29 0.32 2.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.461 -1.245 . . . . 25.0 113.439 174.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -134.22 154.46 51.25 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 107.314 -1.365 . . . . 25.0 107.314 178.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.8 mt 64.78 -167.95 0.21 Allowed 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.444 1.09 . . . . 25.0 109.448 -173.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.71 -101.74 1.89 Allowed Glycine 0 C--O 1.221 -0.695 0 C-N-CA 121.115 -0.564 . . . . 25.0 111.861 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -123.74 64.16 30.77 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 113.294 0.85 . . . . 25.0 113.294 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -71.07 -18.48 30.89 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 115.541 1.324 . . . . 25.0 115.541 -179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.3 m -92.48 125.47 37.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.926 0.393 . . . . 25.0 111.516 -173.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.7 m -87.03 128.75 35.08 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.201 -1.407 . . . . 25.0 107.201 171.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.9 m -119.47 130.98 55.51 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 104.567 -2.383 . . . . 25.0 104.567 177.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.6 m -96.22 151.1 19.82 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.028 -0.669 . . . . 25.0 112.033 -169.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.6 t -118.52 149.3 41.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.801 -1.09 . . . . 25.0 108.241 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 C--O 1.25 1.11 0 N-CA-C 103.19 -2.892 . . . . 25.0 103.19 176.814 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.293 0 CA-C-O 118.238 -1.312 . . . . 25.0 111.159 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 54.13 50.61 16.16 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 117.859 0.83 . . . . 25.0 111.864 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 83.72 -17.14 27.51 Favored Glycine 0 C--O 1.226 -0.403 0 CA-C-N 115.488 -0.778 . . . . 25.0 114.021 178.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -107.29 144.01 28.32 Favored Pre-proline 0 CA--C 1.545 0.776 0 N-CA-C 114.22 1.193 . . . . 25.0 114.22 -175.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.425 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 83.6 Cg_endo -72.35 144.74 81.43 Favored 'Cis proline' 0 C--N 1.354 0.86 0 CA-C-N 118.059 0.342 . . . . 25.0 112.637 -1.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.14 -66.82 0.52 Allowed Glycine 0 C--O 1.226 -0.399 0 N-CA-C 110.664 -0.975 . . . . 25.0 110.664 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -126.22 123.21 37.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.47 0.652 . . . . 25.0 111.906 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -85.2 -12.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.034 -0.53 . . . . 25.0 112.334 179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -64.8 -47.79 76.77 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.828 -0.545 . . . . 25.0 110.71 -177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.47 -29.71 69.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.41 -0.516 . . . . 25.0 111.194 178.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.12 -39.46 89.94 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.679 -0.638 . . . . 25.0 109.497 175.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 t -64.34 -43.49 94.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.188 -0.46 . . . . 25.0 110.826 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -60.28 -42.04 94.62 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.831 0.348 . . . . 25.0 110.557 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -60.7 -46.37 90.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.273 -0.421 . . . . 25.0 110.693 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 m -64.68 -42.03 95.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.173 0.435 . . . . 25.0 112.173 178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -62.98 -34.44 77.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.991 -0.443 . . . . 25.0 111.389 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.51 70.07 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.774 0.321 . . . . 25.0 111.616 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.7 mt -75.18 -11.82 60.16 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 122.156 -0.34 . . . . 25.0 111.903 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.0 131.56 1.34 Allowed Glycine 0 C--O 1.214 -1.117 0 C-N-CA 120.485 -0.864 . . . . 25.0 111.944 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.53 -15.78 64.42 Favored Glycine 0 C--O 1.222 -0.625 0 C-N-CA 121.026 -0.607 . . . . 25.0 114.549 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.56 -26.49 74.02 Favored Glycine 0 C--O 1.223 -0.558 0 N-CA-C 110.247 -1.141 . . . . 25.0 110.247 175.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.2 mtt85 -79.01 124.93 28.74 Favored 'General case' 0 N--CA 1.439 -1.009 0 N-CA-C 106.502 -1.666 . . . . 25.0 106.502 177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.5 p -90.87 -16.67 27.82 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 177.67 -152.24 11.68 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 115.708 -0.678 . . . . 25.0 112.297 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.41 166.47 39.72 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.408 -0.677 . . . . 25.0 111.408 178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -132.05 168.85 17.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.659 -1.238 . . . . 25.0 107.659 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.5 m -111.21 142.87 42.84 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.78 0.324 . . . . 25.0 111.253 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.06 -177.09 5.27 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 105.055 -2.202 . . . . 25.0 105.055 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -171.5 -175.26 39.74 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 119.165 -1.493 . . . . 25.0 114.317 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -69.68 -178.84 2.5 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 123.961 3.107 . . . . 25.0 114.779 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 61.1 m95 -65.02 -3.07 3.15 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.263 -1.335 . . . . 25.0 113.599 173.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -147.06 165.4 30.03 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.759 -1.571 . . . . 25.0 106.759 -176.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt 64.06 -159.02 0.3 Allowed 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.09 0.956 . . . . 25.0 108.736 -171.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.78 -122.49 4.97 Favored Glycine 0 C--O 1.22 -0.741 0 CA-C-O 121.247 0.359 . . . . 25.0 112.902 -176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.425 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 60.1 m80 -122.79 64.03 21.98 Favored Pre-proline 0 CA--C 1.549 0.907 0 N-CA-C 113.274 0.842 . . . . 25.0 113.274 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -74.54 -16.25 21.56 Favored 'Trans proline' 0 C--N 1.352 0.736 0 N-CA-C 115.831 1.435 . . . . 25.0 115.831 -178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 70.9 m -85.4 119.28 25.58 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.004 0.43 . . . . 25.0 111.156 -173.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.1 m -81.63 134.43 35.48 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 25.0 108.238 173.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.8 m -127.6 132.98 49.74 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 104.201 -2.518 . . . . 25.0 104.201 177.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.6 m -97.61 152.24 19.26 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 119.763 -0.775 . . . . 25.0 113.024 -169.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 t -119.12 154.5 33.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.96 -1.018 . . . . 25.0 108.57 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 102.154 -3.276 . . . . 25.0 102.154 176.185 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.184 0 CA-C-O 118.388 -1.229 . . . . 25.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 54.57 48.03 21.33 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.87 0.835 . . . . 25.0 111.707 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 90.02 -23.0 22.91 Favored Glycine 0 C--O 1.227 -0.328 0 CA-C-N 115.679 -0.691 . . . . 25.0 113.11 177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -101.37 143.33 26.38 Favored Pre-proline 0 C--O 1.242 0.699 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -177.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.446 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 84.1 Cg_endo -74.74 144.49 81.14 Favored 'Cis proline' 0 C--N 1.353 0.793 0 CA-C-N 117.966 0.309 . . . . 25.0 112.592 -1.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 135.92 -64.42 0.58 Allowed Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.89 -0.884 . . . . 25.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -118.85 126.39 51.72 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.43 0.633 . . . . 25.0 112.402 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.38 -16.78 32.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.682 -0.69 . . . . 25.0 111.767 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -68.0 -48.73 64.95 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.839 -0.538 . . . . 25.0 111.432 -176.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -65.83 -30.5 71.13 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.806 -0.559 . . . . 25.0 110.537 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.8 t -64.6 -40.9 96.32 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.0 t -64.85 -44.85 88.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 25.0 110.627 176.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -59.68 -42.85 93.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 118.125 0.421 . . . . 25.0 110.926 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -59.55 -47.0 87.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.551 -0.295 . . . . 25.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 m -64.02 -43.33 95.92 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.392 0.516 . . . . 25.0 112.392 178.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -62.88 -34.52 77.57 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.016 -0.428 . . . . 25.0 110.842 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.22 72.01 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.733 0.272 . . . . 25.0 111.733 177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.2 mt -70.94 -17.13 62.69 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 111.848 0.314 . . . . 25.0 111.848 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 173.23 132.14 1.48 Allowed Glycine 0 C--O 1.217 -0.924 0 C-N-CA 120.67 -0.776 . . . . 25.0 112.148 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.37 -14.75 60.26 Favored Glycine 0 C--O 1.222 -0.613 0 N-CA-C 115.866 1.106 . . . . 25.0 115.866 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.69 -23.22 78.28 Favored Glycine 0 C--O 1.223 -0.569 0 N-CA-C 110.558 -1.017 . . . . 25.0 110.558 176.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 76.7 mtt85 -81.19 125.23 30.02 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 108.146 -1.057 . . . . 25.0 108.146 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.0 p -87.52 -17.79 31.28 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 25.0 109.863 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.5 -150.44 12.06 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.688 -0.687 . . . . 25.0 111.714 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -164.65 166.85 38.18 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.865 -0.894 . . . . 25.0 110.865 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -131.97 165.18 24.5 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 106.381 -1.711 . . . . 25.0 106.381 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 33.9 m -111.71 139.98 46.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.706 0.289 . . . . 25.0 110.836 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.46 -175.54 4.31 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.536 -2.394 . . . . 25.0 104.536 177.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -175.9 -176.15 43.89 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.019 -1.562 . . . . 25.0 114.428 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -68.28 -177.97 1.61 Allowed 'Trans proline' 0 C--O 1.218 -0.491 0 C-N-CA 123.911 3.074 . . . . 25.0 113.743 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 28.7 m95 -65.0 -3.04 3.09 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.291 -1.322 . . . . 25.0 113.638 173.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -136.12 161.23 36.28 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.213 -1.032 . . . . 25.0 108.213 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 67.6 mt 62.37 -160.79 0.3 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 -171.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.75 -103.32 2.6 Favored Glycine 0 C--O 1.221 -0.694 0 N-CA-C 111.389 -0.684 . . . . 25.0 111.389 -178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 33.7 m80 -128.22 67.35 74.88 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 113.092 0.775 . . . . 25.0 113.092 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -71.22 -18.25 30.56 Favored 'Trans proline' 0 C--N 1.349 0.595 0 N-CA-C 115.98 1.492 . . . . 25.0 115.98 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.0 m -92.31 115.5 28.14 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.432 . . . . 25.0 111.406 -173.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.2 m -80.96 132.3 35.39 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 174.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.8 m -129.14 134.6 48.12 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.48 -2.415 . . . . 25.0 104.48 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 61.4 m -96.86 151.01 20.09 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.986 0.736 . . . . 25.0 112.986 -168.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 t -117.08 156.6 27.3 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-N 114.75 -1.114 . . . . 25.0 108.605 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 . . . . . 0 C--O 1.253 1.283 0 N-CA-C 102.446 -3.168 . . . . 25.0 102.446 176.464 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 CA-C-O 118.603 -1.109 . . . . 25.0 111.201 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 55.1 45.55 25.91 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 117.744 0.772 . . . . 25.0 111.853 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.56 -19.8 30.65 Favored Glycine 0 C--O 1.226 -0.401 0 CA-C-N 115.63 -0.714 . . . . 25.0 113.728 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 148.38 36.65 Favored Pre-proline 0 C--O 1.244 0.773 0 N-CA-C 113.829 1.048 . . . . 25.0 113.829 -176.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -71.13 138.44 52.59 Favored 'Cis proline' 0 C--N 1.352 0.739 0 N-CA-C 112.999 0.346 . . . . 25.0 112.999 -0.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.69 -66.64 0.51 Allowed Glycine 0 C--O 1.224 -0.481 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 -179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -115.23 127.65 55.63 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.896 0.702 . . . . 25.0 112.896 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.82 -14.55 31.68 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.702 -0.681 . . . . 25.0 112.222 177.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -67.64 -50.52 57.54 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.79 -0.569 . . . . 25.0 111.078 -176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -66.48 -29.36 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.207 0.527 . . . . 25.0 110.279 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.4 t -64.19 -40.86 96.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.441 0.638 . . . . 25.0 109.445 176.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.4 t -65.99 -44.8 83.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.659 176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -58.91 -43.24 91.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 117.938 0.336 . . . . 25.0 110.986 178.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -59.66 -48.21 82.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.488 -0.324 . . . . 25.0 110.311 178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.7 m -63.81 -43.07 97.33 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.961 0.356 . . . . 25.0 111.961 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 -61.91 -36.2 80.65 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.138 -0.352 . . . . 25.0 110.912 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.43 72.42 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.877 0.325 . . . . 25.0 111.877 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.85 -18.52 63.43 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.038 0.385 . . . . 25.0 112.038 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.91 133.26 1.69 Allowed Glycine 0 C--O 1.217 -0.912 0 C-N-CA 120.537 -0.84 . . . . 25.0 112.346 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.55 -14.07 59.59 Favored Glycine 0 C--O 1.221 -0.677 0 N-CA-C 115.742 1.057 . . . . 25.0 115.742 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.34 -21.75 79.35 Favored Glycine 0 C--O 1.222 -0.646 0 N-CA-C 110.811 -0.916 . . . . 25.0 110.811 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -82.4 126.63 32.42 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 p -83.47 -21.64 32.79 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.477 0.656 . . . . 25.0 110.541 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.88 -149.14 12.61 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.641 -0.984 . . . . 25.0 110.641 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.38 165.64 38.76 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 111.18 -0.768 . . . . 25.0 111.18 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -130.93 161.37 32.04 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 19.6 m -100.68 140.42 34.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.775 0.321 . . . . 25.0 111.676 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.62 -176.68 5.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 104.794 -2.299 . . . . 25.0 104.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.48 179.09 45.11 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 119.509 -1.329 . . . . 25.0 113.186 178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -68.97 -179.41 2.54 Favored 'Trans proline' 0 C--O 1.219 -0.452 0 C-N-CA 123.131 2.554 . . . . 25.0 113.615 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -66.91 -3.14 6.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 114.494 -1.23 . . . . 25.0 112.768 172.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -131.72 154.75 48.69 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.015 -1.476 . . . . 25.0 107.015 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.9 mt 65.83 -164.69 0.23 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.434 1.093 . . . . 25.0 108.662 -172.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -99.28 -110.14 3.06 Favored Glycine 0 C--O 1.221 -0.674 0 C-N-CA 121.261 -0.495 . . . . 25.0 112.236 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -123.12 63.26 21.99 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -73.99 -17.94 21.88 Favored 'Trans proline' 0 C--N 1.354 0.817 0 N-CA-C 115.353 1.251 . . . . 25.0 115.353 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -88.7 115.84 26.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.124 0.488 . . . . 25.0 111.543 -173.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.3 m -80.98 128.83 34.14 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 172.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.1 m -121.35 132.38 54.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 104.006 -2.59 . . . . 25.0 104.006 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 64.2 m -96.65 149.19 22.07 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 113.297 0.851 . . . . 25.0 113.297 -167.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 t -111.73 154.71 24.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.471 -1.24 . . . . 25.0 108.01 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 . . . . . 0 C--O 1.254 1.341 0 N-CA-C 103.642 -2.725 . . . . 25.0 103.642 177.621 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.086 0 CA-C-O 118.569 -1.128 . . . . 25.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 55.9 46.23 22.48 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.576 0.703 . . . . 25.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.31 -23.12 16.41 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.384 -0.826 . . . . 25.0 112.828 178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.58 152.12 40.62 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.84 124.01 7.82 Favored 'Cis proline' 0 C--N 1.35 0.64 0 N-CA-C 114.573 0.951 . . . . 25.0 114.573 0.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.76 -68.83 0.45 Allowed Glycine 0 C--O 1.229 -0.204 0 CA-C-N 115.985 -0.552 . . . . 25.0 112.231 178.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -89.99 93.93 9.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.056 0.931 . . . . 25.0 113.006 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -21.41 62.64 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.379 -0.828 . . . . 25.0 112.25 177.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -72.83 -43.62 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.751 -0.593 . . . . 25.0 110.031 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -65.5 -32.65 74.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.297 0.57 . . . . 25.0 109.951 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.42 -42.0 98.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.218 0.532 . . . . 25.0 109.99 174.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -62.37 -44.76 95.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.783 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -59.83 -42.75 94.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 118.024 0.375 . . . . 25.0 111.088 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -60.51 -47.4 86.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.421 -0.354 . . . . 25.0 110.324 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.9 m -63.19 -42.8 99.4 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -62.3 -36.36 81.88 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.343 -0.223 . . . . 25.0 110.967 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.73 -30.51 71.19 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -70.69 -18.43 62.82 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.18 0.437 . . . . 25.0 112.18 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.49 133.95 1.73 Allowed Glycine 0 C--O 1.217 -0.946 0 C-N-CA 120.169 -1.015 . . . . 25.0 112.439 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.97 -15.37 60.27 Favored Glycine 0 C--O 1.221 -0.715 0 N-CA-C 116.001 1.16 . . . . 25.0 116.001 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.27 -23.64 77.63 Favored Glycine 0 C--O 1.221 -0.69 0 N-CA-C 110.767 -0.933 . . . . 25.0 110.767 176.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -82.86 125.14 31.0 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.4 p -87.12 -19.69 28.15 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.18 0.514 . . . . 25.0 110.439 -177.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.15 -150.63 11.84 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.559 -0.746 . . . . 25.0 111.869 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -172.35 165.79 38.43 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 110.711 -0.956 . . . . 25.0 110.711 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -138.49 167.17 22.48 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.694 -1.224 . . . . 25.0 107.694 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 31.5 m -110.48 144.0 39.96 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 -175.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.95 -171.85 3.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 104.424 -2.435 . . . . 25.0 104.424 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.55 -179.61 44.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 119.202 -1.475 . . . . 25.0 113.502 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -68.48 -179.26 2.24 Favored 'Trans proline' 0 C--O 1.219 -0.441 0 C-N-CA 123.54 2.827 . . . . 25.0 113.672 178.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -67.58 -2.95 7.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.443 -1.253 . . . . 25.0 113.002 173.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -129.26 158.07 40.09 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.437 -1.69 . . . . 25.0 106.437 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.2 mt 63.54 -151.63 0.32 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 107.77 -1.196 . . . . 25.0 107.77 -171.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -121.33 -101.39 1.74 Allowed Glycine 0 C--O 1.219 -0.798 0 C-N-CA 121.309 -0.472 . . . . 25.0 112.293 -177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -121.22 58.06 7.22 Favored Pre-proline 0 CA--C 1.546 0.811 0 N-CA-C 114.216 1.191 . . . . 25.0 114.216 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -75.12 -20.09 16.98 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 116.65 -1.767 . . . . 25.0 115.271 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 92.6 m -85.16 118.89 24.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.224 0.535 . . . . 25.0 111.839 -173.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -80.97 132.05 35.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 106.76 -1.571 . . . . 25.0 106.76 172.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 m -125.05 131.11 53.4 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 104.806 -2.294 . . . . 25.0 104.806 177.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 76.9 m -96.24 148.64 22.52 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.279 -0.568 . . . . 25.0 111.89 -170.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.3 t -115.49 154.75 28.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.744 -1.116 . . . . 25.0 108.072 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 . . . . . 0 C--O 1.254 1.34 0 N-CA-C 102.245 -3.243 . . . . 25.0 102.245 177.176 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.153 0 CA-C-O 118.194 -1.337 . . . . 25.0 111.305 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 54.43 48.32 20.86 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.153 0.976 . . . . 25.0 112.39 178.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.74 -20.14 29.54 Favored Glycine 0 N--CA 1.454 -0.158 0 CA-C-N 115.882 -0.599 . . . . 25.0 113.071 178.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m -102.45 142.84 25.4 Favored Pre-proline 0 C--N 1.321 -0.651 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.622 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 83.9 Cg_endo -72.52 144.48 80.74 Favored 'Cis proline' 0 C--N 1.352 0.739 0 CA-C-N 118.043 0.337 . . . . 25.0 112.082 -1.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 137.97 -66.31 0.54 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.28 -1.128 . . . . 25.0 110.28 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -125.0 123.95 40.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.988 0.736 . . . . 25.0 112.988 -178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.95 -18.07 38.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.815 -0.629 . . . . 25.0 112.039 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.1 -45.69 80.28 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.058 -0.401 . . . . 25.0 110.63 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -64.09 -33.59 76.11 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.783 -0.573 . . . . 25.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.6 t -65.99 -39.29 90.2 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.621 0.724 . . . . 25.0 109.617 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.3 t -63.98 -43.72 94.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.824 -0.626 . . . . 25.0 110.76 176.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.88 -42.4 99.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 117.952 0.342 . . . . 25.0 110.33 178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -59.67 -47.57 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.649 0.262 . . . . 25.0 110.918 176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 m -63.71 -42.04 98.0 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.338 0.495 . . . . 25.0 112.338 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -62.13 -35.82 79.92 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.885 -0.509 . . . . 25.0 110.774 177.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.77 69.81 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.028 0.381 . . . . 25.0 112.028 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.72 -16.38 63.32 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.538 0.57 . . . . 25.0 112.538 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 172.38 131.75 1.41 Allowed Glycine 0 C--O 1.217 -0.948 0 C-N-CA 120.523 -0.846 . . . . 25.0 111.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.82 -13.32 56.37 Favored Glycine 0 C--O 1.222 -0.647 0 N-CA-C 115.951 1.14 . . . . 25.0 115.951 -177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.44 -22.83 78.24 Favored Glycine 0 C--O 1.225 -0.448 0 N-CA-C 110.402 -1.079 . . . . 25.0 110.402 176.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -84.96 126.66 33.7 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.574 -0.898 . . . . 25.0 108.574 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -94.49 -13.39 26.19 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 120.84 0.353 . . . . 25.0 110.896 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.8 -154.8 14.89 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.447 179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.84 165.23 37.92 Favored Glycine 0 C--O 1.236 0.269 0 C-N-CA 121.177 -0.535 . . . . 25.0 111.783 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.45 172.0 12.37 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 107.371 -1.344 . . . . 25.0 107.371 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 56.6 m -123.65 142.27 51.21 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 121.129 -0.228 . . . . 25.0 110.444 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.28 -175.6 4.6 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 105.151 -2.166 . . . . 25.0 105.151 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.96 -174.42 40.82 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 119.537 -1.316 . . . . 25.0 113.493 178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -67.51 -176.01 0.81 Allowed 'Trans proline' 0 C--O 1.216 -0.606 0 C-N-CA 124.368 3.378 . . . . 25.0 114.604 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.1 -3.6 2.82 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.283 -1.326 . . . . 25.0 113.354 172.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -141.21 164.27 30.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 -177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.1 mt 64.46 -162.23 0.27 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.277 1.031 . . . . 25.0 108.456 -173.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.09 -112.44 3.12 Favored Glycine 0 C--O 1.218 -0.883 0 CA-C-O 121.917 0.731 . . . . 25.0 112.431 -177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.622 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 45.9 m80 -123.93 64.95 35.2 Favored Pre-proline 0 CA--C 1.545 0.761 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -72.26 -17.78 27.28 Favored 'Trans proline' 0 C--N 1.349 0.585 0 N-CA-C 115.973 1.489 . . . . 25.0 115.973 -178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -90.47 115.57 27.73 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 122.657 0.383 . . . . 25.0 111.28 -174.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.4 m -80.67 141.5 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.1 m -138.06 138.33 38.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 104.866 -2.272 . . . . 25.0 104.866 176.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 66.4 m -96.31 155.7 16.65 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 121.385 -0.822 . . . . 25.0 113.0 -170.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.1 t -120.51 155.03 34.45 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 114.657 -1.156 . . . . 25.0 107.982 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 C--O 1.255 1.373 0 N-CA-C 102.931 -2.989 . . . . 25.0 102.931 177.754 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 CA-C-O 118.524 -1.153 . . . . 25.0 111.213 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 55.29 49.17 17.67 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 117.801 0.801 . . . . 25.0 112.262 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.44 -29.55 8.84 Favored Glycine 0 C--O 1.227 -0.341 0 CA-C-N 115.752 -0.658 . . . . 25.0 111.634 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.1 147.43 33.02 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 122.493 -0.416 . . . . 25.0 111.782 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.51 ' HB3' ' H ' ' A' ' 35' ' ' HIS . 97.1 Cg_endo -73.38 133.38 30.4 Favored 'Cis proline' 0 C--N 1.349 0.584 0 CA-C-N 118.125 0.366 . . . . 25.0 112.676 -2.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.55 -67.48 0.48 Allowed Glycine 0 C--O 1.223 -0.545 0 N-CA-C 110.988 -0.845 . . . . 25.0 110.988 -179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -116.8 123.14 46.4 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -87.88 -13.33 42.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.168 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -67.46 -48.7 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.733 -0.604 . . . . 25.0 110.836 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.42 -31.42 72.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.066 0.46 . . . . 25.0 110.508 177.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 45.5 t -64.26 -42.59 96.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.409 -0.589 . . . . 25.0 109.409 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -62.7 -44.69 95.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.934 -0.576 . . . . 25.0 110.654 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -60.81 -41.67 96.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.627 0.251 . . . . 25.0 111.147 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.2 t60 -62.57 -45.69 91.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.756 0.312 . . . . 25.0 110.62 177.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.3 m -62.81 -42.58 99.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.051 -0.405 . . . . 25.0 111.712 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -61.61 -35.96 79.36 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.17 -0.331 . . . . 25.0 110.677 177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.08 73.22 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 111.971 0.359 . . . . 25.0 111.971 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.31 -16.68 63.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 111.965 0.357 . . . . 25.0 111.965 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 174.33 128.76 1.11 Allowed Glycine 0 C--O 1.217 -0.958 0 N-CA-C 111.143 -0.783 . . . . 25.0 111.143 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.3 -14.16 56.12 Favored Glycine 0 C--O 1.221 -0.689 0 N-CA-C 116.017 1.167 . . . . 25.0 116.017 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.78 -24.14 76.62 Favored Glycine 0 C--O 1.222 -0.608 0 N-CA-C 110.824 -0.911 . . . . 25.0 110.824 175.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -78.19 126.27 30.55 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 107.827 -1.175 . . . . 25.0 107.827 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -88.66 -16.72 31.65 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.04 -149.94 10.72 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.892 -0.67 . . . . 25.0 113.186 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.24 165.35 38.82 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 109.906 -1.278 . . . . 25.0 109.906 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -137.62 172.38 13.04 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 106.434 -1.691 . . . . 25.0 106.434 -178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.5 m -120.22 145.73 46.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.986 0.422 . . . . 25.0 112.089 -178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.48 -161.06 1.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 103.564 -2.754 . . . . 25.0 103.564 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.99 -167.9 30.03 Favored Glycine 0 C--N 1.319 -0.404 0 C-N-CA 119.699 -1.238 . . . . 25.0 116.12 172.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.73 167.33 13.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.62 2.213 . . . . 25.0 112.743 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -69.22 0.54 4.72 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 116.354 1.983 . . . . 25.0 116.354 -176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -107.3 149.32 27.94 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 mt 61.18 -155.2 0.36 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 -171.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -104.55 -73.17 0.91 Allowed Glycine 0 C--O 1.219 -0.843 0 C-N-CA 120.858 -0.687 . . . . 25.0 113.129 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.51 ' H ' ' HB3' ' A' ' 5' ' ' PRO . 41.6 m80 -136.52 68.84 60.69 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 -178.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -65.77 -26.52 52.65 Favored 'Trans proline' 0 CA--C 1.536 0.594 0 N-CA-C 117.26 1.984 . . . . 25.0 117.26 -176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.4 m -95.05 123.87 38.78 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.767 0.654 . . . . 25.0 112.767 -173.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.11 133.82 35.54 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.073 -1.455 . . . . 25.0 107.073 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.1 m -129.19 133.31 47.51 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 105.475 -2.046 . . . . 25.0 105.475 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 74.3 m -95.97 151.26 19.59 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.243 -0.583 . . . . 25.0 112.067 -171.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 t -121.89 155.33 35.66 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.128 -0.942 . . . . 25.0 109.002 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.252 1.23 0 N-CA-C 102.417 -3.179 . . . . 25.0 102.417 175.738 . . . . . . . . 0 0 . 1 stop_ save_