data_5z1y_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5z1y _Structure_validation_residue.Date_analyzed 2018-12-28 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.6 t . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.949 0.404 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.7 -58.91 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.557 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -71.97 159.52 34.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.83 -23.02 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -57.85 -37.37 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.42 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 12' ' ' ILE . . . -60.38 -39.04 85.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.431 0.634 . . . . 0.0 110.337 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.68 -8.57 28.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -110.83 -52.41 2.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -92.59 -12.42 31.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.643 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' ALA . 6.0 mm -125.79 83.89 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 -29.32 81.66 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 122.875 2.383 . . . . 0.0 111.851 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.21 -27.18 53.78 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.879 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -61.54 -40.4 94.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.706 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 19' ' ' GLY . 7.0 ptm180 -61.85 -41.05 97.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.412 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 62.6 mttp -65.77 -40.38 91.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.027 0.441 . . . . 0.0 110.53 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.6 -47.2 87.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.128 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . . . . . . 0 CA--C 1.526 0.759 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.829 0.347 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.32 61.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -101.86 128.7 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.53 -17.61 33.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.468 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.81 -39.64 89.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.82 -49.41 77.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.481 . . . . 0.0 110.858 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -59.15 -36.45 75.26 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.263 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.8 -43.47 94.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.8 m -117.92 -59.41 1.91 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.956 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 8' ' ' ALA . 15.2 mm -51.32 110.45 1.81 Allowed Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.211 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -76.12 -22.63 12.74 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.733 1.622 . . . . 0.0 111.989 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -61.84 -36.74 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.9 m -62.87 -8.67 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -59.66 -33.27 71.33 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.26 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.65 -40.06 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.811 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.927 0.394 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.75 -91.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.226 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.46 ' HG ' ' H ' ' A' ' 7' ' ' ARG . 42.8 t -70.94 140.78 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -59.78 -22.9 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.46 ' H ' ' HG ' ' A' ' 5' ' ' SER . 39.1 ttm105 -59.37 -26.77 65.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.346 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 10' ' ' HIS . . . -59.23 -39.31 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.433 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -60.9 0.68 0.19 Allowed 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.52 ' H ' ' C ' ' A' ' 8' ' ' ALA . 86.4 t60 -129.22 -63.44 0.95 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.061 0.457 . . . . 0.0 111.182 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.999 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -120.22 88.27 41.3 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.52 -27.11 57.81 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.966 2.444 . . . . 0.0 111.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.4 -28.76 65.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.11 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 m -66.3 -9.76 36.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 19' ' ' GLY . 14.2 ptm180 -61.24 -31.02 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.863 0.364 . . . . 0.0 110.237 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -64.96 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.71 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.847 0.356 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.43 96.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -120.61 150.92 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.4 -19.4 3.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.789 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.48 -31.95 69.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -58.78 -39.71 81.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.318 0.58 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -56.84 -17.43 9.29 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.472 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -103.25 -65.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -75.63 -17.08 60.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.117 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -122.69 82.33 48.48 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.65 -20.19 63.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.062 1.841 . . . . 0.0 112.013 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.43 -36.44 83.74 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.545 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.5 m -63.13 -39.92 96.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.954 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -64.48 -37.08 86.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.024 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -68.7 -39.48 80.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.798 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.826 0.346 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.86 25.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -142.09 145.88 34.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.659 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -50.5 -31.09 14.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.16 -44.57 92.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.94 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -62.83 -45.71 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.883 0.849 . . . . 0.0 110.408 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -59.54 -23.62 63.01 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.72 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -98.23 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.9 0.381 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -71.79 -22.95 61.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.884 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -120.45 79.89 29.43 Favored Pre-proline 0 C--N 1.332 -0.165 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -61.66 -19.18 64.08 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.199 1.932 . . . . 0.0 112.2 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.33 -27.12 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.7 -17.74 36.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -55.18 -31.31 61.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.46 -41.18 85.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.669 0.271 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -179.53 20.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.337 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -131.41 146.39 52.24 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.66 -32.4 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.415 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.5 97.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.462 0.648 . . . . 0.0 110.337 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -61.03 -8.93 3.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.779 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -117.1 -62.23 1.61 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.0 111.333 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -70.7 -26.85 63.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.672 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 mm -107.82 103.77 50.74 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.024 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.49 -21.58 34.54 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.858 1.705 . . . . 0.0 112.607 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.95 -24.89 66.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.2 m -66.89 -14.39 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -59.84 -30.99 69.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.331 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.44 -41.12 98.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -67.41 -39.49 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.474 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.746 0.308 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.22 95.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.506 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -79.72 136.77 36.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.437 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.4 -27.66 66.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.061 0.458 . . . . 0.0 110.669 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.0 -37.43 79.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.534 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.23 2.79 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.874 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -123.32 0.19 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 -51.59 2.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.3 p -91.52 -10.78 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -115.04 89.37 19.7 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.59 -16.01 46.04 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.561 2.174 . . . . 0.0 112.284 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.08 -27.41 66.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.85 -12.78 27.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -56.38 -34.28 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.588 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -64.69 -41.95 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.708 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -70.26 -35.05 73.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.343 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.822 0.344 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.46 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' ALA . 80.0 p -159.48 -176.87 6.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.632 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -38.9 -31.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.4 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 23.7 tpt85 -61.92 -44.59 96.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.796 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -62.36 -43.48 98.72 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.576 0.703 . . . . 0.0 110.426 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -59.36 -38.73 81.18 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.445 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -78.43 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 0.0 111.751 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.457 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 96.7 m -68.39 -39.21 81.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.472 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ALA . 4.5 mm -107.17 80.26 0.82 Allowed Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.495 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -60.63 -18.58 55.76 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.068 1.845 . . . . 0.0 112.306 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -61.26 -32.44 72.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.0 109.959 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.17 -21.61 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -53.33 -36.08 60.9 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.599 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -63.46 -43.7 96.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.687 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -72.36 -37.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.688 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.546 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.44 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.8 0.333 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.84 -39.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.54 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -69.44 139.19 53.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -50.6 -24.31 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.634 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.73 -35.02 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.387 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.77 -40.88 89.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.495 0.664 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -62.39 -10.95 12.96 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.62 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -107.37 -57.9 2.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -86.19 -13.23 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.009 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.4 mm -124.35 77.0 61.76 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.99 -23.24 59.16 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.153 1.902 . . . . 0.0 111.976 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -61.49 -29.58 70.07 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.151 0.5 . . . . 0.0 110.914 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.4 m -60.2 -22.49 63.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.7 HH21 ' HZ1' ' A' ' 17' ' ' LYS . 31.1 ptt180 -61.79 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.7 ' HZ1' HH21 ' A' ' 16' ' ' ARG . 64.5 mttp -66.88 -41.05 87.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.56 -46.58 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.459 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.732 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.738 0.304 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.79 88.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.553 ' HG ' ' H ' ' A' ' 7' ' ' ARG . 32.4 t -96.64 129.39 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.457 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.15 -18.54 15.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.544 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.553 ' H ' ' HG ' ' A' ' 5' ' ' SER . 61.5 ttp180 -59.81 -32.59 70.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' ILE . . . -58.72 -38.5 78.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.222 0.534 . . . . 0.0 110.67 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.29 -19.73 36.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -104.0 -65.52 1.01 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -66.81 -37.68 85.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' A' ' 8' ' ' ALA . 5.6 mm -104.71 81.64 0.57 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.988 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.75 -17.04 47.65 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.945 1.763 . . . . 0.0 112.265 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.11 -29.7 71.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.859 0.362 . . . . 0.0 110.304 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 t -58.7 -18.08 28.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' GLY . 46.0 ptt85 -57.91 -30.37 65.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.831 0.348 . . . . 0.0 110.468 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.31 -40.56 97.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.665 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.94 7.64 39.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.718 0.294 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.72 86.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -100.05 125.26 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.463 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.43 -14.83 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.07 -38.14 81.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.111 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.2 -44.99 94.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.277 0.561 . . . . 0.0 110.93 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -61.32 -39.13 89.38 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.103 0.477 . . . . 0.0 110.041 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -62.68 -42.41 99.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.808 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -116.89 -56.86 2.23 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 8' ' ' ALA . 9.6 mm -59.41 113.3 6.69 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.024 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.53 -18.33 12.22 Favored 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.794 1.663 . . . . 0.0 111.788 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -59.98 -36.16 76.56 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -53.32 -27.44 23.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.177 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 11.3 ptm180 -56.94 -42.18 79.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.39 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 36.3 mtmm -69.19 -38.94 78.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 109.9 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.28 -46.54 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.801 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 36.3 m . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.943 0.401 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.2 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -147.24 164.75 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.567 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -49.75 -23.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -59.26 -35.31 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.12 -50.86 72.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.382 0.61 . . . . 0.0 111.081 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 mtp-105 -59.77 -35.96 75.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.665 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -60.15 -39.82 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.2 m -118.3 -63.77 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 8' ' ' ALA . 44.4 mm -48.92 108.93 1.05 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.208 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.35 -19.59 13.19 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.809 2.339 . . . . 0.0 112.148 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.22 -35.53 79.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.769 0.319 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 24.2 m -65.49 -12.84 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -62.93 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.275 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -64.8 -41.36 95.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.666 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.23 -39.92 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.2 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.893 0.378 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.01 84.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.524 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -110.65 147.63 33.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.22 -13.09 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.653 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -60.45 -38.1 83.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.207 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.82 -47.75 84.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.421 0.629 . . . . 0.0 110.889 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.7 -38.75 89.02 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.37 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -60.37 -48.0 83.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.422 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -110.79 -59.14 2.0 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.41 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' ALA . 10.7 mm -58.95 113.8 7.62 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.309 -177.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.1 -20.35 11.52 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.185 1.923 . . . . 0.0 112.795 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -29.6 70.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.575 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 t -59.74 -18.42 42.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.656 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -56.25 -31.48 63.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -62.95 -41.93 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.94 -39.34 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.561 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.863 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.892 0.377 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.07 72.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.685 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -58.64 140.35 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.476 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -28.32 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -57.11 -37.63 72.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.304 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.72 -40.08 86.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.68 0.753 . . . . 0.0 110.8 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -57.1 -17.91 12.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.552 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -98.46 -70.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.9 m -68.52 -29.34 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.573 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' ALA . 37.0 mm -110.06 85.95 4.64 Favored Pre-proline 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.1 -18.55 56.68 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 122.499 2.133 . . . . 0.0 112.286 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -65.98 -30.01 70.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.472 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.1 m -61.1 -26.45 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.621 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 8.1 ptm180 -59.8 -40.6 88.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.445 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 16.1 mmmt -71.04 -40.26 71.81 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.054 0.454 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.5 -47.03 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.414 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.499 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 51.8 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 3' ' ' CYS . . . 166.02 23.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.111 0.481 . . . . 0.0 110.476 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -131.79 145.31 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.988 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 1.5 pp -52.72 -32.95 45.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -61.13 -41.28 96.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.314 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 10' ' ' HIS . . . -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 110.388 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.7 1.98 2.16 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.778 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 8' ' ' ALA . 55.7 m80 -119.98 -46.49 2.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.504 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -100.29 -20.3 15.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -107.86 106.52 58.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.333 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.01 -17.55 31.83 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.273 1.982 . . . . 0.0 112.417 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.42 -18.86 63.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.367 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 92.5 m -87.57 0.1 56.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -64.26 -32.62 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.489 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.36 -39.98 96.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -67.62 -37.43 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.728 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.5 m . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.887 0.375 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.76 82.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.26 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -72.01 163.35 28.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.423 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 pp -94.45 -25.98 16.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -63.2 -37.85 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -55.27 -64.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -58.03 -33.57 69.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.49 -42.53 87.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -120.07 -60.84 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.951 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 8' ' ' ALA . 45.1 mm -50.25 110.75 1.79 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 61.5 Cg_endo -77.67 -21.14 11.54 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.009 2.473 . . . . 0.0 112.165 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.88 -35.25 77.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 -44.65 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 4.4 ptm180 -62.06 -35.54 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.354 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.435 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 mttm -64.21 -40.3 95.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.434 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -66.6 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.742 0.306 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.23 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -87.16 134.96 33.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.92 -22.76 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -59.03 -29.07 67.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.494 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.83 -41.8 92.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.702 0.763 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -59.06 -15.74 15.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.674 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -103.89 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.8 p -74.32 -15.68 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.5 mm -126.54 71.92 72.96 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.63 -28.83 88.33 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.587 2.191 . . . . 0.0 112.406 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -58.94 -18.95 38.34 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.14 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.05 -28.01 69.29 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -52.54 -23.21 5.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.905 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.96 -38.32 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -64.17 -40.07 95.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.778 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.857 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.844 0.354 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.84 85.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -95.19 138.37 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.1 -16.72 34.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -59.23 -37.83 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.272 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.88 -50.05 75.31 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 121.669 0.747 . . . . 0.0 110.649 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -60.51 -29.71 69.27 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.76 -64.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.96 0.409 . . . . 0.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -76.53 -32.22 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.111 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' A' ' 8' ' ' ALA . 23.2 mm -108.96 84.32 2.59 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 110.054 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.95 -22.14 56.03 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -61.47 -23.25 65.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.074 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.44 -19.41 61.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.71 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -56.98 -31.11 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.546 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.6 -41.18 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.814 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.692 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.776 0.322 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.46 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.3 p -143.35 145.43 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.435 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -23.12 66.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -59.32 -42.01 90.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.5 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -64.3 -46.51 83.29 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.616 0.722 . . . . 0.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.79 -20.18 64.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -95.46 -60.11 1.73 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -82.74 -15.99 49.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -125.71 75.75 70.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.325 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.72 -18.81 50.37 Favored 'Trans proline' 0 C--N 1.297 -2.14 0 C-N-CA 122.986 2.458 . . . . 0.0 112.033 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -64.77 -27.83 69.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.029 0.443 . . . . 0.0 110.315 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -61.52 -16.6 49.07 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.48 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -57.69 -29.54 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.463 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -61.95 -41.31 97.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -70.23 -38.87 75.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.61 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -67.29 133.64 50.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -64.51 -17.49 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -60.7 -40.28 91.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.059 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -61.5 -46.4 90.14 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 121.466 0.651 . . . . 0.0 110.674 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -39.21 85.6 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.793 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -76.86 -64.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 111.431 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -68.12 -39.0 82.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.047 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 8' ' ' ALA . 4.2 mm -109.08 79.84 1.23 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.246 -178.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.84 -19.08 64.28 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.202 1.935 . . . . 0.0 111.663 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.68 -29.76 69.5 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -61.81 -40.97 97.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.291 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 6.2 ptm180 -63.67 -37.86 88.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.277 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.435 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 63.2 mttp -62.77 -41.95 99.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.741 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -69.55 -37.84 77.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.612 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.515 ' OD1' ' N ' ' A' ' 2' ' ' LEU . 13.5 t-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.725 0.298 . . . . 0.0 110.666 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.515 ' N ' ' OD1' ' A' ' 1' ' ' ASN . 26.0 tp -62.68 -35.66 80.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.836 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.6 t -48.99 130.62 18.57 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.888 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.7 -58.91 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.557 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -71.97 159.52 34.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.83 -23.02 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -57.85 -37.37 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.42 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 12' ' ' ILE . . . -60.38 -39.04 85.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.431 0.634 . . . . 0.0 110.337 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.68 -8.57 28.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -110.83 -52.41 2.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -92.59 -12.42 31.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.643 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' ALA . 6.0 mm -125.79 83.89 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 -29.32 81.66 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 122.875 2.383 . . . . 0.0 111.851 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.21 -27.18 53.78 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.879 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -61.54 -40.4 94.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.706 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' O ' ' O ' ' A' ' 19' ' ' GLY . 7.0 ptm180 -61.85 -41.05 97.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.412 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.429 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 62.6 mttp -65.77 -40.38 91.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.027 0.441 . . . . 0.0 110.53 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.6 -47.2 87.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.128 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . -104.81 128.12 9.33 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -129.8 -52.4 1.14 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.351 . . . . 0.0 110.467 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.551 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.833 0.349 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.1 tp -103.49 128.73 50.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.075 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m -90.4 45.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.32 61.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -101.86 128.7 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.53 -17.61 33.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.468 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.81 -39.64 89.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.566 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.82 -49.41 77.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.481 . . . . 0.0 110.858 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -59.15 -36.45 75.26 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.263 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.8 -43.47 94.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.8 m -117.92 -59.41 1.91 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.956 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 8' ' ' ALA . 15.2 mm -51.32 110.45 1.81 Allowed Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.211 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -76.12 -22.63 12.74 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.733 1.622 . . . . 0.0 111.989 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -61.84 -36.74 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 82.9 m -62.87 -8.67 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -59.66 -33.27 71.33 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.26 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.65 -40.06 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.35 165.85 39.11 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -145.63 134.6 22.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.802 0.334 . . . . 0.0 110.579 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.895 0.378 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.52 -8.67 58.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.564 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m -62.7 -41.32 99.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.321 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.75 -91.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.226 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.46 ' HG ' ' H ' ' A' ' 7' ' ' ARG . 42.8 t -70.94 140.78 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -59.78 -22.9 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.46 ' H ' ' HG ' ' A' ' 5' ' ' SER . 39.1 ttm105 -59.37 -26.77 65.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.346 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 10' ' ' HIS . . . -59.23 -39.31 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.433 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -60.9 0.68 0.19 Allowed 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.52 ' H ' ' C ' ' A' ' 8' ' ' ALA . 86.4 t60 -129.22 -63.44 0.95 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.061 0.457 . . . . 0.0 111.182 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.999 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -120.22 88.27 41.3 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.52 -27.11 57.81 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.966 2.444 . . . . 0.0 111.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.4 -28.76 65.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.11 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 m -66.3 -9.76 36.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 19' ' ' GLY . 14.2 ptm180 -61.24 -31.02 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.863 0.364 . . . . 0.0 110.237 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -64.96 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.71 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . -124.48 126.23 6.01 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.2 ttt-85 -97.82 126.78 43.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.344 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.551 ' C ' ' H ' ' A' ' 4' ' ' ALA . 59.7 tp -102.92 111.86 24.39 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.102 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.0 m 47.31 11.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.636 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.551 ' H ' ' C ' ' A' ' 2' ' ' LEU . . . -63.8 -40.43 96.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -120.61 150.92 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.4 -19.4 3.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.789 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.48 -31.95 69.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -58.78 -39.71 81.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.318 0.58 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -56.84 -17.43 9.29 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.472 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -103.25 -65.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -75.63 -17.08 60.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.117 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -122.69 82.33 48.48 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.65 -20.19 63.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.062 1.841 . . . . 0.0 112.013 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.43 -36.44 83.74 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.545 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.5 m -63.13 -39.92 96.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.954 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -64.48 -37.08 86.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.024 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 -179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -68.7 -39.48 80.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.35 163.52 39.43 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -137.03 146.04 44.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mp -99.99 124.07 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.21 129.33 39.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.86 25.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -142.09 145.88 34.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.659 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -50.5 -31.09 14.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.16 -44.57 92.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.94 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -62.83 -45.71 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.883 0.849 . . . . 0.0 110.408 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -59.54 -23.62 63.01 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.72 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -98.23 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.9 0.381 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -71.79 -22.95 61.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.884 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -120.45 79.89 29.43 Favored Pre-proline 0 C--N 1.332 -0.165 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -61.66 -19.18 64.08 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.199 1.932 . . . . 0.0 112.2 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.33 -27.12 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.7 -17.74 36.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -55.18 -31.31 61.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.46 -41.18 85.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.75 -41.27 99.87 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -108.98 -161.89 0.78 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.323 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.633 -179.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.703 0.287 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -110.18 133.05 53.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.377 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t -145.71 129.35 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.372 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -179.53 20.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.337 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -131.41 146.39 52.24 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.66 -32.4 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.415 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.5 97.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.462 0.648 . . . . 0.0 110.337 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -61.03 -8.93 3.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.779 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -117.1 -62.23 1.61 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.0 111.333 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -70.7 -26.85 63.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.672 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 mm -107.82 103.77 50.74 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.024 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.49 -21.58 34.54 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.858 1.705 . . . . 0.0 112.607 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.95 -24.89 66.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.2 m -66.89 -14.39 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -59.84 -30.99 69.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.331 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.44 -41.12 98.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -67.41 -39.49 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.7 -177.7 39.66 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -143.27 130.76 21.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.537 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 2' ' ' LEU . 21.1 p30 . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.726 0.298 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.431 ' N ' ' OD1' ' A' ' 1' ' ' ASN . 61.0 tp -104.3 122.46 45.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.199 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.3 m -114.71 35.95 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.868 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.22 95.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.506 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -79.72 136.77 36.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.437 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.4 -27.66 66.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.061 0.458 . . . . 0.0 110.669 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.0 -37.43 79.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.534 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.23 2.79 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.874 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -123.32 0.19 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 -51.59 2.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.3 p -91.52 -10.78 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -115.04 89.37 19.7 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.59 -16.01 46.04 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.561 2.174 . . . . 0.0 112.284 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.08 -27.41 66.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.85 -12.78 27.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -56.38 -34.28 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.588 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' ARG . 26.5 mtpp -64.69 -41.95 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.708 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -70.26 -35.05 73.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.343 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.17 -40.2 98.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' LYS . 36.3 ptt-85 -151.49 159.22 44.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 110.608 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.545 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.433 ' CG ' ' H ' ' A' ' 2' ' ' LEU . 55.8 t30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.7 0.286 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.433 ' H ' ' CG ' ' A' ' 1' ' ' ASN . 85.7 mt -111.71 140.17 46.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.472 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -73.84 146.31 44.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.75 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.46 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' ALA . 80.0 p -159.48 -176.87 6.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.632 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -38.9 -31.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.4 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 23.7 tpt85 -61.92 -44.59 96.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.796 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -62.36 -43.48 98.72 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.576 0.703 . . . . 0.0 110.426 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -59.36 -38.73 81.18 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.445 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -78.43 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 0.0 111.751 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.457 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 96.7 m -68.39 -39.21 81.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.472 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ALA . 4.5 mm -107.17 80.26 0.82 Allowed Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.495 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -60.63 -18.58 55.76 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.068 1.845 . . . . 0.0 112.306 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -61.26 -32.44 72.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.0 109.959 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.17 -21.61 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -53.33 -36.08 60.9 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.599 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -63.46 -43.7 96.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.687 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -72.36 -37.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.688 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.82 98.99 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -135.03 132.21 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.402 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.51 -40.01 95.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.542 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.83 118.87 37.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.84 -39.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.54 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -69.44 139.19 53.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -50.6 -24.31 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.634 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.73 -35.02 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.387 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.77 -40.88 89.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.495 0.664 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -62.39 -10.95 12.96 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.62 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -107.37 -57.9 2.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -86.19 -13.23 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.009 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.4 mm -124.35 77.0 61.76 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.99 -23.24 59.16 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.153 1.902 . . . . 0.0 111.976 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -61.49 -29.58 70.07 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.151 0.5 . . . . 0.0 110.914 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.4 m -60.2 -22.49 63.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.7 HH21 ' HZ1' ' A' ' 17' ' ' LYS . 31.1 ptt180 -61.79 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.7 ' HZ1' HH21 ' A' ' 16' ' ' ARG . 64.5 mttp -66.88 -41.05 87.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.56 -46.58 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.459 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.65 -38.72 95.52 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 57.57 41.67 25.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 0.0 110.516 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.529 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.1 m120 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.76 0.314 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.2 mt 51.61 23.79 2.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.1 m -103.48 20.19 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.79 88.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.553 ' HG ' ' H ' ' A' ' 7' ' ' ARG . 32.4 t -96.64 129.39 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.457 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.15 -18.54 15.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.544 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.553 ' H ' ' HG ' ' A' ' 5' ' ' SER . 61.5 ttp180 -59.81 -32.59 70.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' ILE . . . -58.72 -38.5 78.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.222 0.534 . . . . 0.0 110.67 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.29 -19.73 36.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -104.0 -65.52 1.01 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -66.81 -37.68 85.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' A' ' 8' ' ' ALA . 5.6 mm -104.71 81.64 0.57 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.988 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.75 -17.04 47.65 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.945 1.763 . . . . 0.0 112.265 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.11 -29.7 71.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.859 0.362 . . . . 0.0 110.304 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 t -58.7 -18.08 28.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' GLY . 46.0 ptt85 -57.91 -30.37 65.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.831 0.348 . . . . 0.0 110.468 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.31 -40.56 97.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.665 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.94 7.64 39.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . -134.81 160.59 24.33 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -152.46 160.61 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.541 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.79 0.328 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.47 ' N ' ' CD1' ' A' ' 2' ' ' LEU . 9.1 mp -62.81 -38.84 92.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.536 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m -89.75 11.99 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.72 86.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -100.05 125.26 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.463 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.43 -14.83 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.07 -38.14 81.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.111 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.2 -44.99 94.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.277 0.561 . . . . 0.0 110.93 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -61.32 -39.13 89.38 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.103 0.477 . . . . 0.0 110.041 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -62.68 -42.41 99.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.808 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -116.89 -56.86 2.23 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 8' ' ' ALA . 9.6 mm -59.41 113.3 6.69 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.024 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.53 -18.33 12.22 Favored 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.794 1.663 . . . . 0.0 111.788 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -59.98 -36.16 76.56 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -53.32 -27.44 23.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.177 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 11.3 ptm180 -56.94 -42.18 79.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.39 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 36.3 mtmm -69.19 -38.94 78.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 109.9 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.28 -46.54 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.75 -149.15 25.28 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -60.28 132.7 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.706 0.289 . . . . 0.0 110.55 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.605 179.876 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 p30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.675 0.274 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.5 tp -108.15 119.79 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 36.3 m 48.04 27.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.2 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -147.24 164.75 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.567 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -49.75 -23.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -59.26 -35.31 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.12 -50.86 72.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.382 0.61 . . . . 0.0 111.081 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 mtp-105 -59.77 -35.96 75.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.665 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -60.15 -39.82 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.2 m -118.3 -63.77 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 8' ' ' ALA . 44.4 mm -48.92 108.93 1.05 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.208 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.35 -19.59 13.19 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.809 2.339 . . . . 0.0 112.148 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.22 -35.53 79.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.769 0.319 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 24.2 m -65.49 -12.84 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -62.93 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.275 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -64.8 -41.36 95.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.666 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.23 -39.92 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.72 -176.43 52.67 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -137.94 130.74 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.306 . . . . 0.0 110.488 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.607 179.883 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.821 0.343 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp 59.75 173.58 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.2 m -106.1 27.91 8.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.01 84.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.524 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -110.65 147.63 33.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.22 -13.09 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.653 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -60.45 -38.1 83.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.207 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.82 -47.75 84.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.421 0.629 . . . . 0.0 110.889 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.7 -38.75 89.02 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.37 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -60.37 -48.0 83.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.422 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -110.79 -59.14 2.0 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.41 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' ALA . 10.7 mm -58.95 113.8 7.62 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.309 -177.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.1 -20.35 11.52 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.185 1.923 . . . . 0.0 112.795 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -29.6 70.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.575 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 t -59.74 -18.42 42.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.656 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -56.25 -31.48 63.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -62.95 -41.93 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.94 -39.34 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.561 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -41.52 99.72 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -155.26 161.97 41.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.784 0.326 . . . . 0.0 110.56 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 179.794 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.723 0.297 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -110.55 142.15 42.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.7 -37.82 79.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.53 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.07 72.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.685 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -58.64 140.35 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.476 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -28.32 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -57.11 -37.63 72.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.304 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.72 -40.08 86.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.68 0.753 . . . . 0.0 110.8 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -57.1 -17.91 12.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.552 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -98.46 -70.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.9 m -68.52 -29.34 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.573 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' ALA . 37.0 mm -110.06 85.95 4.64 Favored Pre-proline 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.1 -18.55 56.68 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 122.499 2.133 . . . . 0.0 112.286 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -65.98 -30.01 70.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.472 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.1 m -61.1 -26.45 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.621 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 8.1 ptm180 -59.8 -40.6 88.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.445 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 16.1 mmmt -71.04 -40.26 71.81 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.054 0.454 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.5 -47.03 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.414 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.49 110.84 1.56 Allowed Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -61.98 -44.46 96.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.816 0.341 . . . . 0.0 110.65 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.492 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 120.699 0.285 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 tp -104.28 125.31 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.516 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 4' ' ' ALA . 51.8 t -136.09 124.56 23.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 3' ' ' CYS . . . 166.02 23.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.111 0.481 . . . . 0.0 110.476 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -131.79 145.31 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.988 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 1.5 pp -52.72 -32.95 45.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -61.13 -41.28 96.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.314 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 10' ' ' HIS . . . -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 110.388 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.7 1.98 2.16 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.778 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' H ' ' C ' ' A' ' 8' ' ' ALA . 55.7 m80 -119.98 -46.49 2.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.504 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -100.29 -20.3 15.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -107.86 106.52 58.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.333 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.01 -17.55 31.83 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.273 1.982 . . . . 0.0 112.417 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.42 -18.86 63.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.367 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 92.5 m -87.57 0.1 56.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -64.26 -32.62 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.489 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 20' ' ' ARG . 35.9 mtmm -63.36 -39.98 96.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -67.62 -37.43 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.94 -40.87 99.01 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 17' ' ' LYS . 44.2 ttm180 -112.55 126.8 55.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 110.354 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.541 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.8 m120 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.721 0.296 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.0 mt -112.9 130.56 56.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.384 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.5 m -64.07 -5.18 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.76 82.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.26 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -72.01 163.35 28.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.423 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 pp -94.45 -25.98 16.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -63.2 -37.85 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -55.27 -64.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -58.03 -33.57 69.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.49 -42.53 87.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -120.07 -60.84 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.951 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 8' ' ' ALA . 45.1 mm -50.25 110.75 1.79 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 61.5 Cg_endo -77.67 -21.14 11.54 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.009 2.473 . . . . 0.0 112.165 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.88 -35.25 77.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 -44.65 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 4.4 ptm180 -62.06 -35.54 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.354 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 mttm -64.21 -40.3 95.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.434 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -66.6 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.63 112.77 1.02 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -66.93 -23.54 65.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.696 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.473 -179.859 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 53.8 t30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 4.0 mm? -63.22 -40.37 97.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.653 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t 47.7 27.78 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.23 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -87.16 134.96 33.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.92 -22.76 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -59.03 -29.07 67.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.494 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.83 -41.8 92.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.702 0.763 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.671 ' NH2' HH21 ' A' ' 21' ' ' ARG . 77.4 mtp85 -59.06 -15.74 15.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.674 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -103.89 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.8 p -74.32 -15.68 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.5 mm -126.54 71.92 72.96 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.63 -28.83 88.33 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.587 2.191 . . . . 0.0 112.406 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -58.94 -18.95 38.34 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.14 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.05 -28.01 69.29 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -52.54 -23.21 5.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.905 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.96 -38.32 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -64.17 -40.07 95.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.778 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.1 19.62 76.92 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -68.64 131.69 45.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.874 0.369 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.671 HH21 ' NH2' ' A' ' 9' ' ' ARG . 39.3 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.723 0.297 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.4 mt 53.25 -171.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.574 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.1 m -99.78 17.47 20.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.769 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.84 85.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -95.19 138.37 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.1 -16.72 34.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -59.23 -37.83 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.272 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.88 -50.05 75.31 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 121.669 0.747 . . . . 0.0 110.649 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -60.51 -29.71 69.27 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.76 -64.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.96 0.409 . . . . 0.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -76.53 -32.22 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.111 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' A' ' 8' ' ' ALA . 23.2 mm -108.96 84.32 2.59 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 110.054 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.95 -22.14 56.03 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -61.47 -23.25 65.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.074 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.44 -19.41 61.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.71 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -56.98 -31.11 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.546 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.6 -41.18 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.814 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.02 -41.41 99.67 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -143.96 136.44 26.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.729 0.299 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.88 -40.24 96.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.579 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -138.6 -105.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.46 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.3 p -143.35 145.43 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.435 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -23.12 66.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -59.32 -42.01 90.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.5 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -64.3 -46.51 83.29 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.616 0.722 . . . . 0.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.79 -20.18 64.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -95.46 -60.11 1.73 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -82.74 -15.99 49.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -125.71 75.75 70.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.325 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.72 -18.81 50.37 Favored 'Trans proline' 0 C--N 1.297 -2.14 0 C-N-CA 122.986 2.458 . . . . 0.0 112.033 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -64.77 -27.83 69.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.029 0.443 . . . . 0.0 110.315 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -61.52 -16.6 49.07 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.48 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -57.69 -29.54 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.463 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' ARG . 17.8 mmmt -61.95 -41.31 97.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -70.23 -38.87 75.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.98 -40.39 98.82 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 17' ' ' LYS . 79.6 ttt-85 -123.44 129.18 50.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.834 0.349 . . . . 0.0 110.488 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.608 179.777 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.783 0.325 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -107.6 123.54 48.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.6 6.19 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.729 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.61 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -67.29 133.64 50.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -64.51 -17.49 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -60.7 -40.28 91.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.059 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -61.5 -46.4 90.14 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 121.466 0.651 . . . . 0.0 110.674 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -39.21 85.6 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.793 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -76.86 -64.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 111.431 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -68.12 -39.0 82.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.047 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 8' ' ' ALA . 4.2 mm -109.08 79.84 1.23 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.246 -178.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.84 -19.08 64.28 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.202 1.935 . . . . 0.0 111.663 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.68 -29.76 69.5 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -61.81 -40.97 97.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.291 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.435 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 6.2 ptm180 -63.67 -37.86 88.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.277 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 63.2 mttp -62.77 -41.95 99.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.741 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -69.55 -37.84 77.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.82 99.0 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 17' ' ' LYS . 99.9 mtt180 -116.37 127.24 54.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.819 0.342 . . . . 0.0 110.384 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.879 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 8' ' ' ALA . 37.6 t . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.949 0.404 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.7 -58.91 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.557 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -71.97 159.52 34.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.83 -23.02 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -57.85 -37.37 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.42 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -60.38 -39.04 85.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.431 0.634 . . . . 0.0 110.337 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.68 -8.57 28.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -110.83 -52.41 2.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -92.59 -12.42 31.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.643 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' ALA . 6.0 mm -125.79 83.89 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 -29.32 81.66 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 122.875 2.383 . . . . 0.0 111.851 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.21 -27.18 53.78 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.879 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -61.54 -40.4 94.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.706 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 7.0 ptm180 -61.85 -41.05 97.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.412 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 62.6 mttp -65.77 -40.38 91.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.027 0.441 . . . . 0.0 110.53 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.6 -47.2 87.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.128 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . . . . . . 0 CA--C 1.526 0.759 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.829 0.347 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.32 61.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -101.86 128.7 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 2.1 pp -59.53 -17.61 33.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.468 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.81 -39.64 89.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -60.82 -49.41 77.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.481 . . . . 0.0 110.858 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 6' ' ' LEU . 90.3 mtm180 -59.15 -36.45 75.26 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.263 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.8 -43.47 94.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.8 m -117.92 -59.41 1.91 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.956 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 8' ' ' ALA . 15.2 mm -51.32 110.45 1.81 Allowed Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.211 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -76.12 -22.63 12.74 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.733 1.622 . . . . 0.0 111.989 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -61.84 -36.74 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.689 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 82.9 m -62.87 -8.67 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -59.66 -33.27 71.33 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.26 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.65 -40.06 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.811 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.927 0.394 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.75 -91.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.226 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -70.94 140.78 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -59.78 -22.9 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.1 ttm105 -59.37 -26.77 65.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.346 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -59.23 -39.31 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.433 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -60.9 0.68 0.19 Allowed 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.494 ' H ' ' C ' ' A' ' 8' ' ' ALA . 86.4 t60 -129.22 -63.44 0.95 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.061 0.457 . . . . 0.0 111.182 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.999 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -120.22 88.27 41.3 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.52 -27.11 57.81 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.966 2.444 . . . . 0.0 111.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.4 -28.76 65.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.11 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 17.0 m -66.3 -9.76 36.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 19' ' ' GLY . 14.2 ptm180 -61.24 -31.02 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.863 0.364 . . . . 0.0 110.237 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -64.96 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.71 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.847 0.356 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.43 96.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -120.61 150.92 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.4 -19.4 3.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.789 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.48 -31.95 69.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.504 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -58.78 -39.71 81.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.318 0.58 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -56.84 -17.43 9.29 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.472 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -103.25 -65.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -75.63 -17.08 60.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.117 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -122.69 82.33 48.48 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.65 -20.19 63.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.062 1.841 . . . . 0.0 112.013 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.43 -36.44 83.74 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.545 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 66.5 m -63.13 -39.92 96.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.954 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 4.1 ptm180 -64.48 -37.08 86.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.024 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.5 mttm -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -68.7 -39.48 80.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.798 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.826 0.346 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.86 25.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -142.09 145.88 34.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.659 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -50.5 -31.09 14.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.16 -44.57 92.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.94 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -62.83 -45.71 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.883 0.849 . . . . 0.0 110.408 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -59.54 -23.62 63.01 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.72 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -98.23 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.9 0.381 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -71.79 -22.95 61.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.884 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -120.45 79.89 29.43 Favored Pre-proline 0 C--N 1.332 -0.165 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -61.66 -19.18 64.08 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.199 1.932 . . . . 0.0 112.2 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.33 -27.12 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.7 -17.74 36.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -55.18 -31.31 61.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.46 -41.18 85.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.669 0.271 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -179.53 20.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.337 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -131.41 146.39 52.24 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.66 -32.4 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.415 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.773 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -61.74 -41.5 97.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.462 0.648 . . . . 0.0 110.337 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -61.03 -8.93 3.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.779 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -117.1 -62.23 1.61 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.0 111.333 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -70.7 -26.85 63.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.672 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 mm -107.82 103.77 50.74 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.024 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.49 -21.58 34.54 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.858 1.705 . . . . 0.0 112.607 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.95 -24.89 66.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.773 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 66.2 m -66.89 -14.39 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -59.84 -30.99 69.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.331 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.44 -41.12 98.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -67.41 -39.49 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.474 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.746 0.308 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.22 95.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.506 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -79.72 136.77 36.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.437 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.4 -27.66 66.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.061 0.458 . . . . 0.0 110.669 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.0 -37.43 79.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.534 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.23 2.79 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.874 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -123.32 0.19 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 -51.59 2.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.3 p -91.52 -10.78 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -115.04 89.37 19.7 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.59 -16.01 46.04 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.561 2.174 . . . . 0.0 112.284 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.08 -27.41 66.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.85 -12.78 27.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -56.38 -34.28 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.588 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -64.69 -41.95 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.708 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -70.26 -35.05 73.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.343 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.822 0.344 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.46 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' ALA . 80.0 p -159.48 -176.87 6.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.632 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -38.9 -31.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.4 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 23.7 tpt85 -61.92 -44.59 96.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.796 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -62.36 -43.48 98.72 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.576 0.703 . . . . 0.0 110.426 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -59.36 -38.73 81.18 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.445 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -78.43 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 0.0 111.751 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.457 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 96.7 m -68.39 -39.21 81.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.472 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' ' 8' ' ' ALA . 4.5 mm -107.17 80.26 0.82 Allowed Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.495 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -60.63 -18.58 55.76 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.068 1.845 . . . . 0.0 112.306 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -61.26 -32.44 72.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.0 109.959 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.17 -21.61 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -53.33 -36.08 60.9 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.599 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -63.46 -43.7 96.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.687 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -72.36 -37.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.688 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.546 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.44 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.8 0.333 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.84 -39.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.54 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -69.44 139.19 53.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -50.6 -24.31 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.634 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.73 -35.02 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.387 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.71 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -59.77 -40.88 89.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.495 0.664 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -62.39 -10.95 12.96 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.62 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -107.37 -57.9 2.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -86.19 -13.23 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.009 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.4 mm -124.35 77.0 61.76 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.99 -23.24 59.16 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.153 1.902 . . . . 0.0 111.976 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -61.49 -29.58 70.07 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.151 0.5 . . . . 0.0 110.914 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.71 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 59.4 m -60.2 -22.49 63.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.684 HH21 ' HZ1' ' A' ' 17' ' ' LYS . 31.1 ptt180 -61.79 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.684 ' HZ1' HH21 ' A' ' 16' ' ' ARG . 64.5 mttp -66.88 -41.05 87.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.56 -46.58 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.459 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.732 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.738 0.304 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.79 88.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -96.64 129.39 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.457 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.15 -18.54 15.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.544 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.81 -32.59 70.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' ILE . . . -58.72 -38.5 78.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.222 0.534 . . . . 0.0 110.67 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.29 -19.73 36.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -104.0 -65.52 1.01 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -66.81 -37.68 85.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' A' ' 8' ' ' ALA . 5.6 mm -104.71 81.64 0.57 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.988 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.75 -17.04 47.65 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.945 1.763 . . . . 0.0 112.265 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.11 -29.7 71.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.859 0.362 . . . . 0.0 110.304 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 t -58.7 -18.08 28.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' GLY . 46.0 ptt85 -57.91 -30.37 65.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.831 0.348 . . . . 0.0 110.468 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.31 -40.56 97.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.665 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.94 7.64 39.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.718 0.294 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.72 86.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -100.05 125.26 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.463 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.43 -14.83 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.07 -38.14 81.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.111 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.2 -44.99 94.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.277 0.561 . . . . 0.0 110.93 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -61.32 -39.13 89.38 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.103 0.477 . . . . 0.0 110.041 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -62.68 -42.41 99.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.808 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -116.89 -56.86 2.23 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 8' ' ' ALA . 9.6 mm -59.41 113.3 6.69 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.024 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.53 -18.33 12.22 Favored 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.794 1.663 . . . . 0.0 111.788 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -59.98 -36.16 76.56 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -53.32 -27.44 23.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.177 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 11.3 ptm180 -56.94 -42.18 79.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.39 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 36.3 mtmm -69.19 -38.94 78.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 109.9 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.28 -46.54 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.801 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 36.3 m . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.943 0.401 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.2 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -147.24 164.75 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.567 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -49.75 -23.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -59.26 -35.31 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.12 -50.86 72.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.382 0.61 . . . . 0.0 111.081 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 9' ' ' ARG . 31.5 mtp-105 -59.77 -35.96 75.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.665 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.15 -39.82 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.2 m -118.3 -63.77 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 8' ' ' ALA . 44.4 mm -48.92 108.93 1.05 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.208 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.35 -19.59 13.19 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.809 2.339 . . . . 0.0 112.148 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.22 -35.53 79.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.769 0.319 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 24.2 m -65.49 -12.84 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -62.93 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.275 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -64.8 -41.36 95.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.666 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.23 -39.92 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.2 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.893 0.378 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.01 84.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.524 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -110.65 147.63 33.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.22 -13.09 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.653 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -60.45 -38.1 83.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.207 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.82 -47.75 84.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.421 0.629 . . . . 0.0 110.889 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.7 -38.75 89.02 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.37 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -60.37 -48.0 83.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.422 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -110.79 -59.14 2.0 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.41 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' ALA . 10.7 mm -58.95 113.8 7.62 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.309 -177.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.1 -20.35 11.52 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.185 1.923 . . . . 0.0 112.795 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -29.6 70.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.575 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 t -59.74 -18.42 42.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.656 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -56.25 -31.48 63.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -62.95 -41.93 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.94 -39.34 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.561 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.863 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.892 0.377 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.07 72.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.685 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -58.64 140.35 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.476 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -28.32 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -57.11 -37.63 72.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.304 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.72 -40.08 86.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.68 0.753 . . . . 0.0 110.8 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -57.1 -17.91 12.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.552 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -98.46 -70.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.9 m -68.52 -29.34 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.573 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' ALA . 37.0 mm -110.06 85.95 4.64 Favored Pre-proline 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.1 -18.55 56.68 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 122.499 2.133 . . . . 0.0 112.286 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -65.98 -30.01 70.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.472 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 24.1 m -61.1 -26.45 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.621 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 8.1 ptm180 -59.8 -40.6 88.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.445 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 16.1 mmmt -71.04 -40.26 71.81 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.054 0.454 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.5 -47.03 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.414 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.499 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 51.8 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 3' ' ' CYS . . . 166.02 23.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.111 0.481 . . . . 0.0 110.476 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -131.79 145.31 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.988 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 1.5 pp -52.72 -32.95 45.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -61.13 -41.28 96.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.314 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.638 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 110.388 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.7 1.98 2.16 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.778 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 8' ' ' ALA . 55.7 m80 -119.98 -46.49 2.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.504 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -100.29 -20.3 15.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -107.86 106.52 58.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.333 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.01 -17.55 31.83 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.273 1.982 . . . . 0.0 112.417 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.42 -18.86 63.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.367 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.638 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 92.5 m -87.57 0.1 56.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -64.26 -32.62 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.489 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.36 -39.98 96.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -67.62 -37.43 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.728 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.5 m . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.887 0.375 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.76 82.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.26 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -72.01 163.35 28.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.423 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.672 HD12 ' N ' ' A' ' 7' ' ' ARG . 4.5 pp -94.45 -25.98 16.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.672 ' N ' HD12 ' A' ' 6' ' ' LEU . 63.6 ttm-85 -63.2 -37.85 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -55.27 -64.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -58.03 -33.57 69.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.49 -42.53 87.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -120.07 -60.84 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.951 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 8' ' ' ALA . 45.1 mm -50.25 110.75 1.79 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 61.5 Cg_endo -77.67 -21.14 11.54 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.009 2.473 . . . . 0.0 112.165 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.88 -35.25 77.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 -44.65 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 4.4 ptm180 -62.06 -35.54 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.354 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 mttm -64.21 -40.3 95.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.434 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -66.6 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.742 0.306 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.23 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -87.16 134.96 33.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.92 -22.76 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -59.03 -29.07 67.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.494 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.83 -41.8 92.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.702 0.763 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -59.06 -15.74 15.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.674 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -103.89 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.8 p -74.32 -15.68 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.5 mm -126.54 71.92 72.96 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.63 -28.83 88.33 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.587 2.191 . . . . 0.0 112.406 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -58.94 -18.95 38.34 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.14 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.05 -28.01 69.29 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -52.54 -23.21 5.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.905 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.96 -38.32 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -64.17 -40.07 95.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.778 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.857 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.844 0.354 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.84 85.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -95.19 138.37 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.1 -16.72 34.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -59.23 -37.83 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.272 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.88 -50.05 75.31 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 121.669 0.747 . . . . 0.0 110.649 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -60.51 -29.71 69.27 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.76 -64.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.96 0.409 . . . . 0.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -76.53 -32.22 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.111 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.548 ' N ' ' O ' ' A' ' 8' ' ' ALA . 23.2 mm -108.96 84.32 2.59 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 110.054 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.95 -22.14 56.03 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.519 ' HG2' HG22 ' A' ' 12' ' ' ILE . 4.3 pt20 -61.47 -23.25 65.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.074 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.44 -19.41 61.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.71 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -56.98 -31.11 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.546 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.6 -41.18 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.814 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.692 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.776 0.322 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.46 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.3 p -143.35 145.43 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.435 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -23.12 66.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -59.32 -42.01 90.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.5 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -64.3 -46.51 83.29 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.616 0.722 . . . . 0.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.79 -20.18 64.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -95.46 -60.11 1.73 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -82.74 -15.99 49.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -125.71 75.75 70.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.325 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.72 -18.81 50.37 Favored 'Trans proline' 0 C--N 1.297 -2.14 0 C-N-CA 122.986 2.458 . . . . 0.0 112.033 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -64.77 -27.83 69.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.029 0.443 . . . . 0.0 110.315 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -61.52 -16.6 49.07 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.48 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -57.69 -29.54 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.463 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -61.95 -41.31 97.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -70.23 -38.87 75.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.61 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -67.29 133.64 50.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -64.51 -17.49 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -60.7 -40.28 91.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.059 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -61.5 -46.4 90.14 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 121.466 0.651 . . . . 0.0 110.674 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -39.21 85.6 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.793 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -76.86 -64.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 111.431 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -68.12 -39.0 82.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.047 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 8' ' ' ALA . 4.2 mm -109.08 79.84 1.23 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.246 -178.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.84 -19.08 64.28 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.202 1.935 . . . . 0.0 111.663 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.68 -29.76 69.5 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -61.81 -40.97 97.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.291 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 6.2 ptm180 -63.67 -37.86 88.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.277 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 63.2 mttp -62.77 -41.95 99.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.741 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -69.55 -37.84 77.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.612 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.515 ' OD1' ' N ' ' A' ' 2' ' ' LEU . 13.5 t-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.725 0.298 . . . . 0.0 110.666 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.515 ' N ' ' OD1' ' A' ' 1' ' ' ASN . 26.0 tp -62.68 -35.66 80.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.836 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 8' ' ' ALA . 37.6 t -48.99 130.62 18.57 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.888 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.7 -58.91 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.557 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -71.97 159.52 34.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.83 -23.02 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -57.85 -37.37 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.42 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -60.38 -39.04 85.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.431 0.634 . . . . 0.0 110.337 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.68 -8.57 28.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -110.83 -52.41 2.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -92.59 -12.42 31.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.643 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' ALA . 6.0 mm -125.79 83.89 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 -29.32 81.66 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 122.875 2.383 . . . . 0.0 111.851 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.21 -27.18 53.78 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.879 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -61.54 -40.4 94.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.706 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 7.0 ptm180 -61.85 -41.05 97.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.412 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 62.6 mttp -65.77 -40.38 91.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.027 0.441 . . . . 0.0 110.53 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.6 -47.2 87.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.128 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . -104.81 128.12 9.33 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -129.8 -52.4 1.14 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.351 . . . . 0.0 110.467 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.551 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.833 0.349 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.1 tp -103.49 128.73 50.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.075 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m -90.4 45.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.32 61.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -101.86 128.7 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 2.1 pp -59.53 -17.61 33.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.468 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.81 -39.64 89.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -60.82 -49.41 77.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.481 . . . . 0.0 110.858 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 6' ' ' LEU . 90.3 mtm180 -59.15 -36.45 75.26 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.263 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.8 -43.47 94.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.8 m -117.92 -59.41 1.91 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.956 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 8' ' ' ALA . 15.2 mm -51.32 110.45 1.81 Allowed Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.211 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -76.12 -22.63 12.74 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.733 1.622 . . . . 0.0 111.989 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -61.84 -36.74 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.689 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 82.9 m -62.87 -8.67 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -59.66 -33.27 71.33 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.26 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.65 -40.06 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.35 165.85 39.11 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -145.63 134.6 22.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.802 0.334 . . . . 0.0 110.579 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.794 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.895 0.378 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.52 -8.67 58.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.564 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m -62.7 -41.32 99.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.321 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.75 -91.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.226 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -70.94 140.78 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -59.78 -22.9 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.1 ttm105 -59.37 -26.77 65.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.346 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -59.23 -39.31 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.433 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -60.9 0.68 0.19 Allowed 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.494 ' H ' ' C ' ' A' ' 8' ' ' ALA . 86.4 t60 -129.22 -63.44 0.95 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.061 0.457 . . . . 0.0 111.182 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.999 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -120.22 88.27 41.3 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.52 -27.11 57.81 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.966 2.444 . . . . 0.0 111.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.4 -28.76 65.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.11 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 17.0 m -66.3 -9.76 36.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 19' ' ' GLY . 14.2 ptm180 -61.24 -31.02 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.863 0.364 . . . . 0.0 110.237 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -64.96 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.71 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . -124.48 126.23 6.01 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.2 ttt-85 -97.82 126.78 43.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.344 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 4' ' ' ALA . 59.7 tp -102.92 111.86 24.39 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.102 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.0 m 47.31 11.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.636 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -63.8 -40.43 96.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -120.61 150.92 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.4 -19.4 3.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.789 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.48 -31.95 69.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.504 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -58.78 -39.71 81.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.318 0.58 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -56.84 -17.43 9.29 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.472 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -103.25 -65.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -75.63 -17.08 60.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.117 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -122.69 82.33 48.48 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.65 -20.19 63.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.062 1.841 . . . . 0.0 112.013 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.43 -36.44 83.74 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.545 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 66.5 m -63.13 -39.92 96.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.954 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 4.1 ptm180 -64.48 -37.08 86.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.024 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.5 mttm -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -68.7 -39.48 80.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.35 163.52 39.43 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -137.03 146.04 44.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mp -99.99 124.07 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.21 129.33 39.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.86 25.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -142.09 145.88 34.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.659 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -50.5 -31.09 14.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.16 -44.57 92.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.94 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -62.83 -45.71 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.883 0.849 . . . . 0.0 110.408 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -59.54 -23.62 63.01 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.72 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -98.23 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.9 0.381 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -71.79 -22.95 61.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.884 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -120.45 79.89 29.43 Favored Pre-proline 0 C--N 1.332 -0.165 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -61.66 -19.18 64.08 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.199 1.932 . . . . 0.0 112.2 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.33 -27.12 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.7 -17.74 36.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -55.18 -31.31 61.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.46 -41.18 85.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.75 -41.27 99.87 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -108.98 -161.89 0.78 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.323 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.633 -179.897 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.703 0.287 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -110.18 133.05 53.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.377 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t -145.71 129.35 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.372 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -179.53 20.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.337 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -131.41 146.39 52.24 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.66 -32.4 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.415 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.773 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -61.74 -41.5 97.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.462 0.648 . . . . 0.0 110.337 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -61.03 -8.93 3.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.779 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -117.1 -62.23 1.61 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.0 111.333 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -70.7 -26.85 63.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.672 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 mm -107.82 103.77 50.74 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.024 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.49 -21.58 34.54 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.858 1.705 . . . . 0.0 112.607 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.95 -24.89 66.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.773 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 66.2 m -66.89 -14.39 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -59.84 -30.99 69.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.331 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.44 -41.12 98.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -67.41 -39.49 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.7 -177.7 39.66 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -143.27 130.76 21.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.537 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 2' ' ' LEU . 21.1 p30 . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.726 0.298 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.431 ' N ' ' OD1' ' A' ' 1' ' ' ASN . 61.0 tp -104.3 122.46 45.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.199 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.3 m -114.71 35.95 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.868 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.428 ' H ' ' HG ' ' A' ' 2' ' ' LEU . . . -60.77 -41.22 95.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -79.72 136.77 36.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.437 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.4 -27.66 66.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.061 0.458 . . . . 0.0 110.669 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.0 -37.43 79.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.534 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.23 2.79 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.874 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -123.32 0.19 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 -51.59 2.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.3 p -91.52 -10.78 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -115.04 89.37 19.7 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.59 -16.01 46.04 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.561 2.174 . . . . 0.0 112.284 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.08 -27.41 66.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.85 -12.78 27.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -56.38 -34.28 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.588 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' ARG . 26.5 mtpp -64.69 -41.95 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.708 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -70.26 -35.05 73.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.343 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.17 -40.2 98.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' LYS . 36.3 ptt-85 -151.49 159.22 44.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 110.608 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.545 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 55.8 t30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.7 0.286 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.7 mt -111.71 140.17 46.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.472 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -73.84 146.31 44.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.75 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.46 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' ALA . 80.0 p -159.48 -176.87 6.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.632 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -38.9 -31.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.4 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 23.7 tpt85 -61.92 -44.59 96.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.796 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -62.36 -43.48 98.72 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.576 0.703 . . . . 0.0 110.426 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -59.36 -38.73 81.18 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.445 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -78.43 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 0.0 111.751 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.457 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 96.7 m -68.39 -39.21 81.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.472 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' ' 8' ' ' ALA . 4.5 mm -107.17 80.26 0.82 Allowed Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.495 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -60.63 -18.58 55.76 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.068 1.845 . . . . 0.0 112.306 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -61.26 -32.44 72.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.0 109.959 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.17 -21.61 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -53.33 -36.08 60.9 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.599 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -63.46 -43.7 96.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.687 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -72.36 -37.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.688 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.82 98.99 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -135.03 132.21 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.402 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.51 -40.01 95.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.542 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.83 118.87 37.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.84 -39.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.54 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -69.44 139.19 53.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -50.6 -24.31 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.634 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.73 -35.02 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.387 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.71 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -59.77 -40.88 89.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.495 0.664 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -62.39 -10.95 12.96 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.62 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -107.37 -57.9 2.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -86.19 -13.23 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.009 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.4 mm -124.35 77.0 61.76 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.99 -23.24 59.16 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.153 1.902 . . . . 0.0 111.976 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -61.49 -29.58 70.07 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.151 0.5 . . . . 0.0 110.914 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.71 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 59.4 m -60.2 -22.49 63.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.684 HH21 ' HZ1' ' A' ' 17' ' ' LYS . 31.1 ptt180 -61.79 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.684 ' HZ1' HH21 ' A' ' 16' ' ' ARG . 64.5 mttp -66.88 -41.05 87.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.56 -46.58 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.459 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.65 -38.72 95.52 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 57.57 41.67 25.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 0.0 110.516 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.529 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.1 m120 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.76 0.314 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.2 mt 51.61 23.79 2.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.1 m -103.48 20.19 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.79 88.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -96.64 129.39 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.457 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.15 -18.54 15.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.544 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.81 -32.59 70.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' ILE . . . -58.72 -38.5 78.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.222 0.534 . . . . 0.0 110.67 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.29 -19.73 36.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -104.0 -65.52 1.01 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -66.81 -37.68 85.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' A' ' 8' ' ' ALA . 5.6 mm -104.71 81.64 0.57 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.988 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.75 -17.04 47.65 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.945 1.763 . . . . 0.0 112.265 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.11 -29.7 71.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.859 0.362 . . . . 0.0 110.304 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 t -58.7 -18.08 28.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' GLY . 46.0 ptt85 -57.91 -30.37 65.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.831 0.348 . . . . 0.0 110.468 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.31 -40.56 97.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.665 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.94 7.64 39.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . -134.81 160.59 24.33 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -152.46 160.61 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.541 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.79 0.328 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 2' ' ' LEU . 9.1 mp -62.81 -38.84 92.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.536 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m -89.75 11.99 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.72 86.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -100.05 125.26 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.463 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.43 -14.83 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.07 -38.14 81.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.111 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.2 -44.99 94.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.277 0.561 . . . . 0.0 110.93 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -61.32 -39.13 89.38 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.103 0.477 . . . . 0.0 110.041 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -62.68 -42.41 99.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.808 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -116.89 -56.86 2.23 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 8' ' ' ALA . 9.6 mm -59.41 113.3 6.69 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.024 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.53 -18.33 12.22 Favored 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.794 1.663 . . . . 0.0 111.788 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -59.98 -36.16 76.56 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -53.32 -27.44 23.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.177 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 11.3 ptm180 -56.94 -42.18 79.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.39 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 36.3 mtmm -69.19 -38.94 78.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 109.9 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.28 -46.54 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.75 -149.15 25.28 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -60.28 132.7 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.706 0.289 . . . . 0.0 110.55 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.605 179.876 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 p30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.675 0.274 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.5 tp -108.15 119.79 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 36.3 m 48.04 27.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.2 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -147.24 164.75 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.567 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -49.75 -23.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -59.26 -35.31 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.12 -50.86 72.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.382 0.61 . . . . 0.0 111.081 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 9' ' ' ARG . 31.5 mtp-105 -59.77 -35.96 75.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.665 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -60.15 -39.82 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.2 m -118.3 -63.77 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 8' ' ' ALA . 44.4 mm -48.92 108.93 1.05 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.208 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.35 -19.59 13.19 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.809 2.339 . . . . 0.0 112.148 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.22 -35.53 79.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.769 0.319 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 24.2 m -65.49 -12.84 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -62.93 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.275 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -64.8 -41.36 95.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.666 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.23 -39.92 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.72 -176.43 52.67 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -137.94 130.74 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.306 . . . . 0.0 110.488 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.607 179.883 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.821 0.343 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp 59.75 173.58 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.2 m -106.1 27.91 8.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.01 84.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.524 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -110.65 147.63 33.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.22 -13.09 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.653 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -60.45 -38.1 83.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.207 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.82 -47.75 84.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.421 0.629 . . . . 0.0 110.889 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.7 -38.75 89.02 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.37 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -60.37 -48.0 83.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.422 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -110.79 -59.14 2.0 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.41 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' ALA . 10.7 mm -58.95 113.8 7.62 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.309 -177.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.1 -20.35 11.52 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.185 1.923 . . . . 0.0 112.795 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -29.6 70.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.575 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 t -59.74 -18.42 42.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.656 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -56.25 -31.48 63.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -62.95 -41.93 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.94 -39.34 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.561 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -41.52 99.72 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -155.26 161.97 41.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.784 0.326 . . . . 0.0 110.56 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 179.794 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.723 0.297 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -110.55 142.15 42.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.7 -37.82 79.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.53 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.07 72.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.685 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -58.64 140.35 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.476 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -28.32 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -57.11 -37.63 72.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.304 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.72 -40.08 86.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.68 0.753 . . . . 0.0 110.8 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -57.1 -17.91 12.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.552 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -98.46 -70.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.9 m -68.52 -29.34 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.573 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' ALA . 37.0 mm -110.06 85.95 4.64 Favored Pre-proline 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.1 -18.55 56.68 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 122.499 2.133 . . . . 0.0 112.286 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -65.98 -30.01 70.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.472 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 24.1 m -61.1 -26.45 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.621 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 8.1 ptm180 -59.8 -40.6 88.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.445 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 16.1 mmmt -71.04 -40.26 71.81 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.054 0.454 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.5 -47.03 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.414 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.49 110.84 1.56 Allowed Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -61.98 -44.46 96.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.816 0.341 . . . . 0.0 110.65 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.492 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 120.699 0.285 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 tp -104.28 125.31 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.516 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 51.8 t -136.09 124.56 23.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 3' ' ' CYS . . . 166.02 23.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.111 0.481 . . . . 0.0 110.476 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -131.79 145.31 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.988 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 1.5 pp -52.72 -32.95 45.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -61.13 -41.28 96.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.314 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.638 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 110.388 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.7 1.98 2.16 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.778 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 8' ' ' ALA . 55.7 m80 -119.98 -46.49 2.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.504 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -100.29 -20.3 15.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -107.86 106.52 58.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.333 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.01 -17.55 31.83 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.273 1.982 . . . . 0.0 112.417 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.42 -18.86 63.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.367 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.638 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 92.5 m -87.57 0.1 56.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -64.26 -32.62 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.489 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 20' ' ' ARG . 35.9 mtmm -63.36 -39.98 96.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -67.62 -37.43 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.94 -40.87 99.01 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 17' ' ' LYS . 44.2 ttm180 -112.55 126.8 55.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 110.354 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.541 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.8 m120 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.721 0.296 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.0 mt -112.9 130.56 56.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.384 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.5 m -64.07 -5.18 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.76 82.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.26 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -72.01 163.35 28.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.423 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.672 HD12 ' N ' ' A' ' 7' ' ' ARG . 4.5 pp -94.45 -25.98 16.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.672 ' N ' HD12 ' A' ' 6' ' ' LEU . 63.6 ttm-85 -63.2 -37.85 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -55.27 -64.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -58.03 -33.57 69.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.49 -42.53 87.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -120.07 -60.84 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.951 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 8' ' ' ALA . 45.1 mm -50.25 110.75 1.79 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 61.5 Cg_endo -77.67 -21.14 11.54 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.009 2.473 . . . . 0.0 112.165 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.88 -35.25 77.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 -44.65 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 4.4 ptm180 -62.06 -35.54 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.354 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 mttm -64.21 -40.3 95.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.434 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -66.6 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.63 112.77 1.02 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -66.93 -23.54 65.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.696 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.473 -179.859 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 53.8 t30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 2' ' ' LEU . 4.0 mm? -63.22 -40.37 97.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.653 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t 47.7 27.78 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.23 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -87.16 134.96 33.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.92 -22.76 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -59.03 -29.07 67.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.494 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.83 -41.8 92.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.702 0.763 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.68 ' NH2' HH21 ' A' ' 21' ' ' ARG . 77.4 mtp85 -59.06 -15.74 15.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.674 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -103.89 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.8 p -74.32 -15.68 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.5 mm -126.54 71.92 72.96 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.63 -28.83 88.33 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.587 2.191 . . . . 0.0 112.406 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -58.94 -18.95 38.34 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.14 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.05 -28.01 69.29 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -52.54 -23.21 5.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.905 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.96 -38.32 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -64.17 -40.07 95.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.778 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.1 19.62 76.92 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -68.64 131.69 45.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.874 0.369 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.68 HH21 ' NH2' ' A' ' 9' ' ' ARG . 39.3 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.723 0.297 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.4 mt 53.25 -171.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.574 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.1 m -99.78 17.47 20.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.769 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.84 85.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -95.19 138.37 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.1 -16.72 34.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -59.23 -37.83 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.272 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.88 -50.05 75.31 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 121.669 0.747 . . . . 0.0 110.649 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -60.51 -29.71 69.27 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.76 -64.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.96 0.409 . . . . 0.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -76.53 -32.22 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.111 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.548 ' N ' ' O ' ' A' ' 8' ' ' ALA . 23.2 mm -108.96 84.32 2.59 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 110.054 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.95 -22.14 56.03 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.519 ' HG2' HG22 ' A' ' 12' ' ' ILE . 4.3 pt20 -61.47 -23.25 65.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.074 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.44 -19.41 61.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.71 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -56.98 -31.11 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.546 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.6 -41.18 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.814 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.02 -41.41 99.67 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -143.96 136.44 26.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.729 0.299 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.88 -40.24 96.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.579 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -138.6 -105.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.46 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.3 p -143.35 145.43 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.435 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -23.12 66.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -59.32 -42.01 90.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.5 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -64.3 -46.51 83.29 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.616 0.722 . . . . 0.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.79 -20.18 64.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -95.46 -60.11 1.73 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -82.74 -15.99 49.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -125.71 75.75 70.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.325 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.72 -18.81 50.37 Favored 'Trans proline' 0 C--N 1.297 -2.14 0 C-N-CA 122.986 2.458 . . . . 0.0 112.033 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -64.77 -27.83 69.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.029 0.443 . . . . 0.0 110.315 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -61.52 -16.6 49.07 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.48 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -57.69 -29.54 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.463 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' ARG . 17.8 mmmt -61.95 -41.31 97.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -70.23 -38.87 75.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.98 -40.39 98.82 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 17' ' ' LYS . 79.6 ttt-85 -123.44 129.18 50.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.834 0.349 . . . . 0.0 110.488 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.608 179.777 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.783 0.325 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -107.6 123.54 48.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.6 6.19 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.729 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.61 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -67.29 133.64 50.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -64.51 -17.49 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -60.7 -40.28 91.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.059 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -61.5 -46.4 90.14 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 121.466 0.651 . . . . 0.0 110.674 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -39.21 85.6 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.793 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -76.86 -64.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 111.431 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -68.12 -39.0 82.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.047 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 8' ' ' ALA . 4.2 mm -109.08 79.84 1.23 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.246 -178.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.84 -19.08 64.28 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.202 1.935 . . . . 0.0 111.663 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.68 -29.76 69.5 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -61.81 -40.97 97.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.291 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 6.2 ptm180 -63.67 -37.86 88.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.277 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 63.2 mttp -62.77 -41.95 99.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.741 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -69.55 -37.84 77.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.82 99.0 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 17' ' ' LYS . 99.9 mtt180 -116.37 127.24 54.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.819 0.342 . . . . 0.0 110.384 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.879 179.872 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 8' ' ' ALA . 37.6 t . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.949 0.404 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.7 -58.91 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.557 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -71.97 159.52 34.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.83 -23.02 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -57.85 -37.37 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.42 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -60.38 -39.04 85.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.431 0.634 . . . . 0.0 110.337 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.68 -8.57 28.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -110.83 -52.41 2.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -92.59 -12.42 31.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.643 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' ALA . 6.0 mm -125.79 83.89 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 -29.32 81.66 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 122.875 2.383 . . . . 0.0 111.851 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.21 -27.18 53.78 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.879 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -61.54 -40.4 94.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.706 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 7.0 ptm180 -61.85 -41.05 97.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.412 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 62.6 mttp -65.77 -40.38 91.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.027 0.441 . . . . 0.0 110.53 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.6 -47.2 87.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.128 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . . . . . . 0 CA--C 1.526 0.759 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.829 0.347 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.32 61.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -101.86 128.7 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 2.1 pp -59.53 -17.61 33.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.468 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.81 -39.64 89.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -60.82 -49.41 77.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.481 . . . . 0.0 110.858 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 6' ' ' LEU . 90.3 mtm180 -59.15 -36.45 75.26 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.263 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.8 -43.47 94.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.8 m -117.92 -59.41 1.91 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.956 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 8' ' ' ALA . 15.2 mm -51.32 110.45 1.81 Allowed Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.211 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -76.12 -22.63 12.74 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.733 1.622 . . . . 0.0 111.989 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -61.84 -36.74 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.689 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 82.9 m -62.87 -8.67 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -59.66 -33.27 71.33 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.26 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.65 -40.06 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.726 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.811 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.927 0.394 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.75 -91.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.226 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -70.94 140.78 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -59.78 -22.9 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.1 ttm105 -59.37 -26.77 65.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.346 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -59.23 -39.31 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.433 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -60.9 0.68 0.19 Allowed 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.494 ' H ' ' C ' ' A' ' 8' ' ' ALA . 86.4 t60 -129.22 -63.44 0.95 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.061 0.457 . . . . 0.0 111.182 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.999 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -120.22 88.27 41.3 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.52 -27.11 57.81 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.966 2.444 . . . . 0.0 111.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.4 -28.76 65.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.11 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 17.0 m -66.3 -9.76 36.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 19' ' ' GLY . 14.2 ptm180 -61.24 -31.02 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.863 0.364 . . . . 0.0 110.237 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -64.96 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.71 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.0 m . . . . . 0 CA--C 1.529 0.155 0 CA-C-O 120.847 0.356 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.43 96.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -120.61 150.92 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.4 -19.4 3.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.789 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.48 -31.95 69.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.504 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -58.78 -39.71 81.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.318 0.58 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -56.84 -17.43 9.29 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.472 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -103.25 -65.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -75.63 -17.08 60.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.117 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -122.69 82.33 48.48 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.65 -20.19 63.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.062 1.841 . . . . 0.0 112.013 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.43 -36.44 83.74 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.545 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 66.5 m -63.13 -39.92 96.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.954 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 4.1 ptm180 -64.48 -37.08 86.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.024 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.5 mttm -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -68.7 -39.48 80.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.798 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.5 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.826 0.346 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.86 25.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -142.09 145.88 34.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.659 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -50.5 -31.09 14.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.16 -44.57 92.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.94 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -62.83 -45.71 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.883 0.849 . . . . 0.0 110.408 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -59.54 -23.62 63.01 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.72 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -98.23 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.9 0.381 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -71.79 -22.95 61.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.884 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -120.45 79.89 29.43 Favored Pre-proline 0 C--N 1.332 -0.165 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -61.66 -19.18 64.08 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.199 1.932 . . . . 0.0 112.2 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.33 -27.12 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.7 -17.74 36.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -55.18 -31.31 61.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.46 -41.18 85.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.669 0.271 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -179.53 20.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.337 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -131.41 146.39 52.24 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.66 -32.4 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.415 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.773 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -61.74 -41.5 97.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.462 0.648 . . . . 0.0 110.337 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -61.03 -8.93 3.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.779 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -117.1 -62.23 1.61 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.0 111.333 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -70.7 -26.85 63.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.672 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 mm -107.82 103.77 50.74 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.024 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.49 -21.58 34.54 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.858 1.705 . . . . 0.0 112.607 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.95 -24.89 66.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.773 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 66.2 m -66.89 -14.39 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -59.84 -30.99 69.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.331 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.44 -41.12 98.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -67.41 -39.49 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.474 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.746 0.308 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.22 95.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.506 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -79.72 136.77 36.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.437 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.4 -27.66 66.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.061 0.458 . . . . 0.0 110.669 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.0 -37.43 79.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.534 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.23 2.79 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.874 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -123.32 0.19 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 -51.59 2.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.3 p -91.52 -10.78 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -115.04 89.37 19.7 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.59 -16.01 46.04 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.561 2.174 . . . . 0.0 112.284 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.08 -27.41 66.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.85 -12.78 27.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -56.38 -34.28 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.588 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -64.69 -41.95 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.708 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -70.26 -35.05 73.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.343 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.888 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.822 0.344 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.46 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' ALA . 80.0 p -159.48 -176.87 6.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.632 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -38.9 -31.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.4 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 23.7 tpt85 -61.92 -44.59 96.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.796 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -62.36 -43.48 98.72 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.576 0.703 . . . . 0.0 110.426 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -59.36 -38.73 81.18 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.445 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -78.43 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 0.0 111.751 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.457 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 96.7 m -68.39 -39.21 81.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.472 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' ' 8' ' ' ALA . 4.5 mm -107.17 80.26 0.82 Allowed Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.495 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -60.63 -18.58 55.76 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.068 1.845 . . . . 0.0 112.306 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -61.26 -32.44 72.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.0 109.959 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.17 -21.61 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -53.33 -36.08 60.9 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.599 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -63.46 -43.7 96.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.687 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -72.36 -37.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.688 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.546 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.44 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.8 0.333 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.84 -39.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.54 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -69.44 139.19 53.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -50.6 -24.31 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.634 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.73 -35.02 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.387 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.71 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -59.77 -40.88 89.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.495 0.664 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -62.39 -10.95 12.96 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.62 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -107.37 -57.9 2.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -86.19 -13.23 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.009 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.4 mm -124.35 77.0 61.76 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.99 -23.24 59.16 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.153 1.902 . . . . 0.0 111.976 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -61.49 -29.58 70.07 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.151 0.5 . . . . 0.0 110.914 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.71 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 59.4 m -60.2 -22.49 63.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.684 HH21 ' HZ1' ' A' ' 17' ' ' LYS . 31.1 ptt180 -61.79 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.684 ' HZ1' HH21 ' A' ' 16' ' ' ARG . 64.5 mttp -66.88 -41.05 87.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.56 -46.58 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.459 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.7 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.732 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.738 0.304 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.79 88.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -96.64 129.39 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.457 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.15 -18.54 15.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.544 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.81 -32.59 70.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' ILE . . . -58.72 -38.5 78.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.222 0.534 . . . . 0.0 110.67 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.29 -19.73 36.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -104.0 -65.52 1.01 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -66.81 -37.68 85.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' A' ' 8' ' ' ALA . 5.6 mm -104.71 81.64 0.57 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.988 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.75 -17.04 47.65 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.945 1.763 . . . . 0.0 112.265 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.11 -29.7 71.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.859 0.362 . . . . 0.0 110.304 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 t -58.7 -18.08 28.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' GLY . 46.0 ptt85 -57.91 -30.37 65.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.831 0.348 . . . . 0.0 110.468 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.31 -40.56 97.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.665 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.94 7.64 39.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.718 0.294 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.72 86.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -100.05 125.26 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.463 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.43 -14.83 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.07 -38.14 81.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.111 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.2 -44.99 94.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.277 0.561 . . . . 0.0 110.93 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -61.32 -39.13 89.38 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.103 0.477 . . . . 0.0 110.041 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -62.68 -42.41 99.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.808 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -116.89 -56.86 2.23 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 8' ' ' ALA . 9.6 mm -59.41 113.3 6.69 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.024 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.53 -18.33 12.22 Favored 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.794 1.663 . . . . 0.0 111.788 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -59.98 -36.16 76.56 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -53.32 -27.44 23.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.177 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 11.3 ptm180 -56.94 -42.18 79.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.39 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 36.3 mtmm -69.19 -38.94 78.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 109.9 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.28 -46.54 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.801 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 36.3 m . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.943 0.401 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.2 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -147.24 164.75 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.567 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -49.75 -23.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -59.26 -35.31 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.12 -50.86 72.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.382 0.61 . . . . 0.0 111.081 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 9' ' ' ARG . 31.5 mtp-105 -59.77 -35.96 75.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.665 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -60.15 -39.82 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.2 m -118.3 -63.77 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 8' ' ' ALA . 44.4 mm -48.92 108.93 1.05 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.208 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.35 -19.59 13.19 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.809 2.339 . . . . 0.0 112.148 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.22 -35.53 79.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.769 0.319 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 24.2 m -65.49 -12.84 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -62.93 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.275 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -64.8 -41.36 95.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.666 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.23 -39.92 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.2 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.893 0.378 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.01 84.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.524 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -110.65 147.63 33.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.22 -13.09 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.653 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -60.45 -38.1 83.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.207 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.82 -47.75 84.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.421 0.629 . . . . 0.0 110.889 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.7 -38.75 89.02 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.37 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -60.37 -48.0 83.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.422 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -110.79 -59.14 2.0 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.41 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' ALA . 10.7 mm -58.95 113.8 7.62 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.309 -177.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.1 -20.35 11.52 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.185 1.923 . . . . 0.0 112.795 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -29.6 70.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.575 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 t -59.74 -18.42 42.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.656 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -56.25 -31.48 63.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -62.95 -41.93 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.94 -39.34 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.561 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.863 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.892 0.377 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.07 72.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.685 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -58.64 140.35 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.476 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -28.32 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -57.11 -37.63 72.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.304 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.72 -40.08 86.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.68 0.753 . . . . 0.0 110.8 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -57.1 -17.91 12.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.552 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -98.46 -70.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.9 m -68.52 -29.34 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.573 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' ALA . 37.0 mm -110.06 85.95 4.64 Favored Pre-proline 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.1 -18.55 56.68 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 122.499 2.133 . . . . 0.0 112.286 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -65.98 -30.01 70.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.472 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 24.1 m -61.1 -26.45 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.621 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 8.1 ptm180 -59.8 -40.6 88.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.445 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 16.1 mmmt -71.04 -40.26 71.81 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.054 0.454 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.5 -47.03 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.414 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.499 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 51.8 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.538 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 3' ' ' CYS . . . 166.02 23.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.111 0.481 . . . . 0.0 110.476 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -131.79 145.31 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.988 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 1.5 pp -52.72 -32.95 45.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -61.13 -41.28 96.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.314 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.638 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 110.388 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.7 1.98 2.16 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.778 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 8' ' ' ALA . 55.7 m80 -119.98 -46.49 2.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.504 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -100.29 -20.3 15.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -107.86 106.52 58.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.333 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.01 -17.55 31.83 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.273 1.982 . . . . 0.0 112.417 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.42 -18.86 63.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.367 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.638 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 92.5 m -87.57 0.1 56.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -64.26 -32.62 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.489 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.36 -39.98 96.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -67.62 -37.43 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.728 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.5 m . . . . . 0 CA--C 1.523 -0.069 0 CA-C-O 120.887 0.375 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.76 82.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.26 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -72.01 163.35 28.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.423 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.672 HD12 ' N ' ' A' ' 7' ' ' ARG . 4.5 pp -94.45 -25.98 16.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.672 ' N ' HD12 ' A' ' 6' ' ' LEU . 63.6 ttm-85 -63.2 -37.85 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -55.27 -64.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -58.03 -33.57 69.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.49 -42.53 87.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -120.07 -60.84 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.951 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 8' ' ' ALA . 45.1 mm -50.25 110.75 1.79 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 61.5 Cg_endo -77.67 -21.14 11.54 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.009 2.473 . . . . 0.0 112.165 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.88 -35.25 77.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 -44.65 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 4.4 ptm180 -62.06 -35.54 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.354 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 mttm -64.21 -40.3 95.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.434 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -66.6 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.456 -0.166 0 CA-C-O 120.742 0.306 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.23 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -87.16 134.96 33.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.92 -22.76 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -59.03 -29.07 67.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.494 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.83 -41.8 92.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.702 0.763 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -59.06 -15.74 15.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.674 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -103.89 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.8 p -74.32 -15.68 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.5 mm -126.54 71.92 72.96 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.63 -28.83 88.33 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.587 2.191 . . . . 0.0 112.406 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -58.94 -18.95 38.34 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.14 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.05 -28.01 69.29 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -52.54 -23.21 5.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.905 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.96 -38.32 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -64.17 -40.07 95.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.778 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.857 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.844 0.354 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.84 85.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -95.19 138.37 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.1 -16.72 34.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -59.23 -37.83 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.272 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.88 -50.05 75.31 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 121.669 0.747 . . . . 0.0 110.649 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -60.51 -29.71 69.27 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.76 -64.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.96 0.409 . . . . 0.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -76.53 -32.22 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.111 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.548 ' N ' ' O ' ' A' ' 8' ' ' ALA . 23.2 mm -108.96 84.32 2.59 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 110.054 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.95 -22.14 56.03 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.519 ' HG2' HG22 ' A' ' 12' ' ' ILE . 4.3 pt20 -61.47 -23.25 65.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.074 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.44 -19.41 61.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.71 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -56.98 -31.11 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.546 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.6 -41.18 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.814 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.692 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.776 0.322 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.46 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.3 p -143.35 145.43 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.435 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -23.12 66.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -59.32 -42.01 90.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.5 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -64.3 -46.51 83.29 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.616 0.722 . . . . 0.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.79 -20.18 64.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -95.46 -60.11 1.73 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -82.74 -15.99 49.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -125.71 75.75 70.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.325 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.72 -18.81 50.37 Favored 'Trans proline' 0 C--N 1.297 -2.14 0 C-N-CA 122.986 2.458 . . . . 0.0 112.033 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -64.77 -27.83 69.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.029 0.443 . . . . 0.0 110.315 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -61.52 -16.6 49.07 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.48 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -57.69 -29.54 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.463 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -61.95 -41.31 97.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -70.23 -38.87 75.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.89 0.376 . . . . 0.0 110.729 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.61 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -67.29 133.64 50.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -64.51 -17.49 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -60.7 -40.28 91.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.059 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -61.5 -46.4 90.14 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 121.466 0.651 . . . . 0.0 110.674 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -39.21 85.6 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.793 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -76.86 -64.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 111.431 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -68.12 -39.0 82.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.047 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 8' ' ' ALA . 4.2 mm -109.08 79.84 1.23 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.246 -178.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.84 -19.08 64.28 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.202 1.935 . . . . 0.0 111.663 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.68 -29.76 69.5 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -61.81 -40.97 97.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.291 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 6.2 ptm180 -63.67 -37.86 88.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.277 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 63.2 mttp -62.77 -41.95 99.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.741 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -69.55 -37.84 77.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.612 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.515 ' OD1' ' N ' ' A' ' 2' ' ' LEU . 13.5 t-20 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.725 0.298 . . . . 0.0 110.666 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.515 ' N ' ' OD1' ' A' ' 1' ' ' ASN . 26.0 tp -62.68 -35.66 80.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.836 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 8' ' ' ALA . 37.6 t -48.99 130.62 18.57 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.888 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.7 -58.91 0.36 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.557 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -71.97 159.52 34.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.686 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.83 -23.02 67.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.616 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -57.85 -37.37 73.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.42 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.485 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -60.38 -39.04 85.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.431 0.634 . . . . 0.0 110.337 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.68 -8.57 28.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -110.83 -52.41 2.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.323 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.2 p -92.59 -12.42 31.79 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.643 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 8' ' ' ALA . 6.0 mm -125.79 83.89 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 -29.32 81.66 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 122.875 2.383 . . . . 0.0 111.851 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.21 -27.18 53.78 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.213 -0.595 . . . . 0.0 109.879 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.7 t -61.54 -40.4 94.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.706 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 7.0 ptm180 -61.85 -41.05 97.35 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.412 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 62.6 mttp -65.77 -40.38 91.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.027 0.441 . . . . 0.0 110.53 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -60.6 -47.2 87.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.128 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . -104.81 128.12 9.33 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -129.8 -52.4 1.14 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.351 . . . . 0.0 110.467 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.551 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.833 0.349 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 60.1 tp -103.49 128.73 50.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.075 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m -90.4 45.86 1.3 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.91 -14.32 61.04 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -101.86 128.7 48.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.742 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HA ' ' HE ' ' A' ' 9' ' ' ARG . 2.1 pp -59.53 -17.61 33.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.468 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -60.81 -39.64 89.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.132 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.689 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -60.82 -49.41 77.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.109 0.481 . . . . 0.0 110.858 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 6' ' ' LEU . 90.3 mtm180 -59.15 -36.45 75.26 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.263 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -59.8 -43.47 94.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.817 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.8 m -117.92 -59.41 1.91 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.956 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.566 ' N ' ' O ' ' A' ' 8' ' ' ALA . 15.2 mm -51.32 110.45 1.81 Allowed Pre-proline 0 CA--C 1.536 0.412 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.211 -177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -76.12 -22.63 12.74 Favored 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 121.733 1.622 . . . . 0.0 111.989 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -61.84 -36.74 82.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.689 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 82.9 m -62.87 -8.67 7.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.978 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -59.66 -33.27 71.33 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.26 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.65 -40.06 95.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.739 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.35 165.85 39.11 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -145.63 134.6 22.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.802 0.334 . . . . 0.0 110.579 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.578 179.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.895 0.378 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.52 -8.67 58.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.564 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.8 m -62.7 -41.32 99.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.321 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.75 -91.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.226 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -70.94 140.78 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -59.78 -22.9 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.396 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.1 ttm105 -59.37 -26.77 65.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.346 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -59.23 -39.31 82.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.433 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.0 mtp85 -60.9 0.68 0.19 Allowed 'General case' 0 C--N 1.315 -0.912 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.824 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.494 ' H ' ' C ' ' A' ' 8' ' ' ALA . 86.4 t60 -129.22 -63.44 0.95 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.061 0.457 . . . . 0.0 111.182 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.6 p -72.04 -15.15 62.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.999 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.1 mm -120.22 88.27 41.3 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.52 -27.11 57.81 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.966 2.444 . . . . 0.0 111.897 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -58.4 -28.76 65.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.11 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 17.0 m -66.3 -9.76 36.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.085 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' O ' ' O ' ' A' ' 19' ' ' GLY . 14.2 ptm180 -61.24 -31.02 70.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.863 0.364 . . . . 0.0 110.237 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -64.96 -40.59 95.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.727 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.71 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . -124.48 126.23 6.01 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.2 ttt-85 -97.82 126.78 43.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.515 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 . . . . . 0 C--N 1.332 -0.17 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.344 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 4' ' ' ALA . 59.7 tp -102.92 111.86 24.39 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.102 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.0 m 47.31 11.05 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.636 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 2' ' ' LEU . . . -63.8 -40.43 96.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.8 m -120.61 150.92 40.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.4 -19.4 3.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.789 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -59.48 -31.95 69.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.29 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.504 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -58.78 -39.71 81.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.318 0.58 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -56.84 -17.43 9.29 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.472 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.8 t-80 -103.25 -65.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.8 p -75.63 -17.08 60.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.117 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -122.69 82.33 48.48 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -60.65 -20.19 63.99 Favored 'Trans proline' 0 N--CA 1.495 1.616 0 C-N-CA 122.062 1.841 . . . . 0.0 112.013 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.43 -36.44 83.74 Favored 'General case' 0 C--N 1.313 -0.998 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.545 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 66.5 m -63.13 -39.92 96.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.954 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 4.1 ptm180 -64.48 -37.08 86.29 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.024 -179.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.5 mttm -63.08 -42.25 99.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.998 -179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -68.7 -39.48 80.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.661 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.35 163.52 39.43 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -137.03 146.04 44.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.496 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mp -99.99 124.07 44.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.523 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.21 129.33 39.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.65 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.86 25.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.45 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -142.09 145.88 34.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.659 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pp -50.5 -31.09 14.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.321 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -59.16 -44.57 92.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.94 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -62.83 -45.71 91.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.883 0.849 . . . . 0.0 110.408 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -59.54 -23.62 63.01 Favored 'General case' 0 C--N 1.311 -1.067 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.72 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -98.23 -63.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.9 0.381 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 81.4 p -71.79 -22.95 61.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.884 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -120.45 79.89 29.43 Favored Pre-proline 0 C--N 1.332 -0.165 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -61.66 -19.18 64.08 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.199 1.932 . . . . 0.0 112.2 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -63.33 -27.12 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.312 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.7 -17.74 36.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.642 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -55.18 -31.31 61.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.708 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.468 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -67.46 -41.18 85.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.683 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.75 -41.27 99.87 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -108.98 -161.89 0.78 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.323 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.633 -179.897 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.703 0.287 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -110.18 133.05 53.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.377 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.5 t -145.71 129.35 17.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.372 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -179.53 20.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.337 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -131.41 146.39 52.24 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.741 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -53.66 -32.4 51.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.415 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -60.45 -43.85 96.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.242 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.773 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -61.74 -41.5 97.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.462 0.648 . . . . 0.0 110.337 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -61.03 -8.93 3.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.779 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -117.1 -62.23 1.61 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.0 111.333 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -70.7 -26.85 63.6 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.672 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.2 mm -107.82 103.77 50.74 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.024 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.49 -21.58 34.54 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.858 1.705 . . . . 0.0 112.607 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -65.95 -24.89 66.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.391 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.773 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 66.2 m -66.89 -14.39 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.955 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -59.84 -30.99 69.33 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.331 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.44 -41.12 98.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -67.41 -39.49 85.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.7 -177.7 39.66 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -143.27 130.76 21.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.538 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.537 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 2' ' ' LEU . 21.1 p30 . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.726 0.298 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.431 ' N ' ' OD1' ' A' ' 1' ' ' ASN . 61.0 tp -104.3 122.46 45.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.199 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.3 m -114.71 35.95 4.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.868 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.428 ' H ' ' HG ' ' A' ' 2' ' ' LEU . . . -60.77 -41.22 95.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.506 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -79.72 136.77 36.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.437 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 pp -59.4 -27.66 66.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.061 0.458 . . . . 0.0 110.669 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 -60.0 -37.43 79.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.534 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.23 2.79 5.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.874 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -123.32 0.19 8.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.686 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -118.45 -51.59 2.4 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.3 p -91.52 -10.78 39.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -115.04 89.37 19.7 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.59 -16.01 46.04 Favored 'Trans proline' 0 N--CA 1.494 1.553 0 C-N-CA 122.561 2.174 . . . . 0.0 112.284 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -68.08 -27.41 66.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.85 -12.78 27.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.644 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -56.38 -34.28 66.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.961 0.41 . . . . 0.0 110.588 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 20' ' ' ARG . 26.5 mtpp -64.69 -41.95 95.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.708 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -70.26 -35.05 73.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.343 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.17 -40.2 98.21 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 17' ' ' LYS . 36.3 ptt-85 -151.49 159.22 44.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.725 0.298 . . . . 0.0 110.608 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.545 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 55.8 t30 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.7 0.286 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.7 mt -111.71 140.17 46.57 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.472 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.3 m -73.84 146.31 44.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.75 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -138.46 -65.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.788 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' ALA . 80.0 p -159.48 -176.87 6.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.632 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 5' ' ' SER . 0.4 OUTLIER -38.9 -31.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.4 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.457 ' NH1' ' OG1' ' A' ' 11' ' ' THR . 23.7 tpt85 -61.92 -44.59 96.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.796 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -62.36 -43.48 98.72 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 121.576 0.703 . . . . 0.0 110.426 179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.4 mtm-85 -59.36 -38.73 81.18 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.445 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -78.43 -63.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.118 0.485 . . . . 0.0 111.751 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.457 ' OG1' ' NH1' ' A' ' 7' ' ' ARG . 96.7 m -68.39 -39.21 81.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.472 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' A' ' 8' ' ' ALA . 4.5 mm -107.17 80.26 0.82 Allowed Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.495 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -60.63 -18.58 55.76 Favored 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.068 1.845 . . . . 0.0 112.306 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -61.26 -32.44 72.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.349 -0.387 . . . . 0.0 109.959 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -59.17 -21.61 59.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.828 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -53.33 -36.08 60.9 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.599 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -63.46 -43.7 96.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.687 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -72.36 -37.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.688 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.82 98.99 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.366 -0.694 . . . . 0.0 111.366 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -135.03 132.21 38.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.402 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.785 0.326 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.51 -40.01 95.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.542 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.1 t -101.83 118.87 37.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.518 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -161.84 -39.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.54 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.0 t -69.44 139.19 53.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.396 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pp -50.6 -24.31 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.634 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -57.73 -35.02 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.387 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.71 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -59.77 -40.88 89.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.495 0.664 . . . . 0.0 110.27 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -62.39 -10.95 12.96 Favored 'General case' 0 C--N 1.316 -0.891 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.62 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -107.37 -57.9 2.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.003 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 77.1 p -86.19 -13.23 47.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.009 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.4 mm -124.35 77.0 61.76 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -57.99 -23.24 59.16 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.153 1.902 . . . . 0.0 111.976 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -61.49 -29.58 70.07 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.151 0.5 . . . . 0.0 110.914 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.71 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 59.4 m -60.2 -22.49 63.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.4 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.684 HH21 ' HZ1' ' A' ' 17' ' ' LYS . 31.1 ptt180 -61.79 -43.29 99.14 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.149 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.684 ' HZ1' HH21 ' A' ' 16' ' ' ARG . 64.5 mttp -66.88 -41.05 87.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.435 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -61.56 -46.58 89.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.459 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.65 -38.72 95.52 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 57.57 41.67 25.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.897 0.379 . . . . 0.0 110.516 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.529 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.1 m120 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.76 0.314 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.2 mt 51.61 23.79 2.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.458 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.1 m -103.48 20.19 18.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.32 -39.79 88.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.625 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -96.64 129.39 44.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.457 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.15 -18.54 15.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.544 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -59.81 -32.59 70.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.405 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 12' ' ' ILE . . . -58.72 -38.5 78.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.222 0.534 . . . . 0.0 110.67 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -58.29 -19.73 36.97 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -104.0 -65.52 1.01 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -66.81 -37.68 85.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' A' ' 8' ' ' ALA . 5.6 mm -104.71 81.64 0.57 Allowed Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.988 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.75 -17.04 47.65 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.945 1.763 . . . . 0.0 112.265 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -63.11 -29.7 71.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.859 0.362 . . . . 0.0 110.304 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.9 t -58.7 -18.08 28.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.675 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 19' ' ' GLY . 46.0 ptt85 -57.91 -30.37 65.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.831 0.348 . . . . 0.0 110.468 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.31 -40.56 97.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.665 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.94 7.64 39.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.801 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 16' ' ' ARG . . . -134.81 160.59 24.33 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -152.46 160.61 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.541 -179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.79 0.328 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.615 ' N ' HD12 ' A' ' 2' ' ' LEU . 9.1 mp -62.81 -38.84 92.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.536 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.8 m -89.75 11.99 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.92 -39.72 86.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.204 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -100.05 125.26 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.463 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.43 -14.83 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.614 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -60.07 -38.14 81.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.111 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.2 -44.99 94.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.277 0.561 . . . . 0.0 110.93 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -61.32 -39.13 89.38 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.103 0.477 . . . . 0.0 110.041 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -62.68 -42.41 99.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.808 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.8 m -116.89 -56.86 2.23 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -178.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 8' ' ' ALA . 9.6 mm -59.41 113.3 6.69 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.024 -178.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.53 -18.33 12.22 Favored 'Trans proline' 0 N--CA 1.489 1.261 0 C-N-CA 121.794 1.663 . . . . 0.0 111.788 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -59.98 -36.16 76.56 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.655 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -53.32 -27.44 23.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.177 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 11.3 ptm180 -56.94 -42.18 79.59 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.39 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 36.3 mtmm -69.19 -38.94 78.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 0.0 109.9 179.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -59.28 -46.54 88.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.573 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.75 -149.15 25.28 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.4 ttt-85 -60.28 132.7 54.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.706 0.289 . . . . 0.0 110.55 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.605 179.876 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 52.5 p30 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.675 0.274 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.5 tp -108.15 119.79 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 36.3 m 48.04 27.1 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.504 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.2 96.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.8 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -147.24 164.75 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.567 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -49.75 -23.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -59.26 -35.31 73.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -60.12 -50.86 72.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.382 0.61 . . . . 0.0 111.081 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 9' ' ' ARG . 31.5 mtp-105 -59.77 -35.96 75.7 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.665 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -60.15 -39.82 87.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.035 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.2 m -118.3 -63.77 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.55 ' N ' ' O ' ' A' ' 8' ' ' ALA . 44.4 mm -48.92 108.93 1.05 Allowed Pre-proline 0 CA--C 1.536 0.41 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.208 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.35 -19.59 13.19 Favored 'Trans proline' 0 C--N 1.313 -1.33 0 C-N-CA 122.809 2.339 . . . . 0.0 112.148 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -62.22 -35.53 79.17 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.769 0.319 . . . . 0.0 110.47 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.486 ' SG ' ' N ' ' A' ' 3' ' ' CYS . 24.2 m -65.49 -12.84 56.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -62.93 -33.11 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.275 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -64.8 -41.36 95.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.666 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.23 -39.92 78.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.656 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 76.72 -176.43 52.67 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.2 ttp85 -137.94 130.74 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.306 . . . . 0.0 110.488 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.607 179.883 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.821 0.343 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tp 59.75 173.58 0.08 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.545 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.2 m -106.1 27.91 8.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.11 -39.01 84.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.524 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -110.65 147.63 33.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.488 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.22 -13.09 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.653 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -60.45 -38.1 83.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.207 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.82 -47.75 84.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.421 0.629 . . . . 0.0 110.889 -179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.7 -38.75 89.02 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.37 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.6 t-80 -60.37 -48.0 83.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.422 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.3 m -110.79 -59.14 2.0 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.41 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 8' ' ' ALA . 10.7 mm -58.95 113.8 7.62 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 119.929 -0.708 . . . . 0.0 110.309 -177.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.1 -20.35 11.52 Favored 'Trans proline' 0 N--CA 1.49 1.292 0 C-N-CA 122.185 1.923 . . . . 0.0 112.795 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.97 -29.6 70.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.575 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.2 t -59.74 -18.42 42.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.656 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -56.25 -31.48 63.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.62 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -62.95 -41.93 99.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.635 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -67.94 -39.34 83.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.561 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -41.52 99.72 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -155.26 161.97 41.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.784 0.326 . . . . 0.0 110.56 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.566 179.794 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.723 0.297 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.3 mt -110.55 142.15 42.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.62 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.7 -37.82 79.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.53 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.05 -36.07 72.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.685 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -58.64 140.35 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.476 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -28.32 66.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.735 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -57.11 -37.63 72.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.304 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.72 -40.08 86.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.68 0.753 . . . . 0.0 110.8 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -57.1 -17.91 12.58 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.552 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -98.46 -70.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 90.9 m -68.52 -29.34 67.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.573 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' ALA . 37.0 mm -110.06 85.95 4.64 Favored Pre-proline 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.64 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.1 -18.55 56.68 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 122.499 2.133 . . . . 0.0 112.286 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -65.98 -30.01 70.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.0 110.472 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 24.1 m -61.1 -26.45 67.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.621 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.475 ' CG ' ' N ' ' A' ' 17' ' ' LYS . 8.1 ptm180 -59.8 -40.6 88.88 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.48 -0.488 . . . . 0.0 110.445 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 16' ' ' ARG . 16.1 mmmt -71.04 -40.26 71.81 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.054 0.454 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -60.5 -47.03 87.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.414 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -123.49 110.84 1.56 Allowed Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -61.98 -44.46 96.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.816 0.341 . . . . 0.0 110.65 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.492 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 120.699 0.285 . . . . 0.0 110.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 tp -104.28 125.31 50.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.516 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.612 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 51.8 t -136.09 124.56 23.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 3' ' ' CYS . . . 166.02 23.52 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.111 0.481 . . . . 0.0 110.476 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.0 t -131.79 145.31 51.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.988 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 1.5 pp -52.72 -32.95 45.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.225 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -61.13 -41.28 96.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.314 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.638 ' HB1' ' SG ' ' A' ' 15' ' ' CYS . . . -61.58 -42.21 98.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.66 0.743 . . . . 0.0 110.388 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -67.7 1.98 2.16 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.778 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 8' ' ' ALA . 55.7 m80 -119.98 -46.49 2.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.504 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -100.29 -20.3 15.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.743 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' ALA . 6.5 mm -107.86 106.52 58.7 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.333 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.01 -17.55 31.83 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.273 1.982 . . . . 0.0 112.417 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.42 -18.86 63.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.367 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.638 ' SG ' ' HB1' ' A' ' 8' ' ' ALA . 92.5 m -87.57 0.1 56.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -64.26 -32.62 74.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.489 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' O ' ' A' ' 20' ' ' ARG . 35.9 mtmm -63.36 -39.98 96.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -67.62 -37.43 82.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.94 -40.87 99.01 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 17' ' ' LYS . 44.2 ttm180 -112.55 126.8 55.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.721 0.296 . . . . 0.0 110.354 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.0 mtp180 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.541 -179.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 18.8 m120 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.721 0.296 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 76.0 mt -112.9 130.56 56.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.384 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.5 m -64.07 -5.18 4.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -37.76 82.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.26 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -72.01 163.35 28.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.423 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.672 HD12 ' N ' ' A' ' 7' ' ' ARG . 4.5 pp -94.45 -25.98 16.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.707 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.672 ' N ' HD12 ' A' ' 6' ' ' LEU . 63.6 ttm-85 -63.2 -37.85 88.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -55.27 -64.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.101 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -58.03 -33.57 69.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.873 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -58.49 -42.53 87.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.5 m -120.07 -60.84 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.951 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.525 ' N ' ' O ' ' A' ' 8' ' ' ALA . 45.1 mm -50.25 110.75 1.79 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.554 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 61.5 Cg_endo -77.67 -21.14 11.54 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.009 2.473 . . . . 0.0 112.165 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -61.88 -35.25 77.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.39 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.4 t -60.77 -44.65 96.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.576 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 4.4 ptm180 -62.06 -35.54 78.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.354 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 68.4 mttm -64.21 -40.3 95.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.434 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -66.6 -39.33 88.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.588 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -135.63 112.77 1.02 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.745 -0.942 . . . . 0.0 110.745 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -66.93 -23.54 65.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.696 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.473 -179.859 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 53.8 t30 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.84 0.352 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 2' ' ' LEU . 4.0 mm? -63.22 -40.37 97.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.653 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t 47.7 27.78 1.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.463 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.04 -39.23 94.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.634 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -87.16 134.96 33.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.726 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 pp -57.92 -22.76 50.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.633 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -59.03 -29.07 67.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.494 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.83 -41.8 92.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.702 0.763 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.68 ' NH2' HH21 ' A' ' 21' ' ' ARG . 77.4 mtp85 -59.06 -15.74 15.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.674 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -103.89 -63.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.847 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.8 p -74.32 -15.68 60.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.756 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.5 mm -126.54 71.92 72.96 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.63 -28.83 88.33 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.587 2.191 . . . . 0.0 112.406 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -58.94 -18.95 38.34 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.14 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -62.05 -28.01 69.29 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -52.54 -23.21 5.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.905 -178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.96 -38.32 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.205 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -64.17 -40.07 95.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.778 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.1 19.62 76.92 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -68.64 131.69 45.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.874 0.369 . . . . 0.0 110.631 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.68 HH21 ' NH2' ' A' ' 9' ' ' ARG . 39.3 ttm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.526 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.723 0.297 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.4 mt 53.25 -171.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.574 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.1 m -99.78 17.47 20.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.769 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.84 85.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.423 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -95.19 138.37 33.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pp -60.1 -16.72 34.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.493 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.0 ttp-105 -59.23 -37.83 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.272 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.548 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -59.88 -50.05 75.31 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 121.669 0.747 . . . . 0.0 110.649 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -60.51 -29.71 69.27 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.803 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -80.76 -64.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.96 0.409 . . . . 0.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.4 m -76.53 -32.22 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.111 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.548 ' N ' ' O ' ' A' ' 8' ' ' ALA . 23.2 mm -108.96 84.32 2.59 Favored Pre-proline 0 CA--C 1.531 0.222 0 CA-C-O 120.866 0.365 . . . . 0.0 110.054 -178.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.95 -22.14 56.03 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 122.294 1.996 . . . . 0.0 112.307 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.519 ' HG2' HG22 ' A' ' 12' ' ' ILE . 4.3 pt20 -61.47 -23.25 65.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.074 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 t -61.44 -19.41 61.95 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.71 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -56.98 -31.11 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.546 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.6 -41.18 98.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.606 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -68.75 -39.69 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.814 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.02 -41.41 99.67 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -143.96 136.44 26.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.48 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.729 0.299 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.88 -40.24 96.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.579 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.8 m -138.6 -105.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.543 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.88 13.46 1.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.3 p -143.35 145.43 32.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.435 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.87 -23.12 66.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.729 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -59.32 -42.01 90.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.5 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -64.3 -46.51 83.29 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-O 121.616 0.722 . . . . 0.0 110.75 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.79 -20.18 64.75 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.65 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -95.46 -60.11 1.73 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -82.74 -15.99 49.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ALA . 5.8 mm -125.71 75.75 70.34 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.325 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.72 -18.81 50.37 Favored 'Trans proline' 0 C--N 1.297 -2.14 0 C-N-CA 122.986 2.458 . . . . 0.0 112.033 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -64.77 -27.83 69.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.029 0.443 . . . . 0.0 110.315 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 t -61.52 -16.6 49.07 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.48 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -57.69 -29.54 64.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.463 -179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' ARG . 17.8 mmmt -61.95 -41.31 97.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.536 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -70.23 -38.87 75.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.696 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.98 -40.39 98.82 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' A' ' 17' ' ' LYS . 79.6 ttt-85 -123.44 129.18 50.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.834 0.349 . . . . 0.0 110.488 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.608 179.777 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.783 0.325 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -107.6 123.54 48.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.629 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.6 6.19 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.729 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.61 91.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.441 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -67.29 133.64 50.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.43 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pp -64.51 -17.49 63.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 tpp85 -60.7 -40.28 91.64 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.059 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' ILE . . . -61.5 -46.4 90.14 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 121.466 0.651 . . . . 0.0 110.674 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.16 -39.21 85.6 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.793 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.1 t-80 -76.86 -64.14 1.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.988 0.423 . . . . 0.0 111.431 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.6 m -68.12 -39.0 82.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.047 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.511 ' N ' ' O ' ' A' ' 8' ' ' ALA . 4.2 mm -109.08 79.84 1.23 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.246 -178.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_endo -61.84 -19.08 64.28 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.202 1.935 . . . . 0.0 111.663 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -60.68 -29.76 69.5 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.0 t -61.81 -40.97 97.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.291 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 6.2 ptm180 -63.67 -37.86 88.94 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.277 -179.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 63.2 mttp -62.77 -41.95 99.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.741 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -69.55 -37.84 77.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.64 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.98 -40.82 99.0 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 17' ' ' LYS . 99.9 mtt180 -116.37 127.24 54.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.819 0.342 . . . . 0.0 110.384 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.879 179.872 . . . . . . . . 0 0 . 1 stop_ save_